BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 51058005 FCCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCCF InChI=1S/C19H24F2N2O5S/c20-7-1-2-9-22-17-6-5-15(12-16(17)18(24)19(22)25)29(26,27)23-10-3-4-14(23)13-28-11-8-21/h5-6,12,14H,1-4,7-11,13H2/t14-/m0/s1 IDXGNHSBSFGHCS-AWEZNQCLSA-N 50431504 CHEMBL2348702 Caspase-7 Homo sapiens 9.7 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431504&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71583084 164160379 CHEMBL2348702 ZINC95604181 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058006 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCCF InChI=1S/C19H25FN2O5S/c1-2-3-9-21-17-7-6-15(12-16(17)18(23)19(21)24)28(25,26)22-10-4-5-14(22)13-27-11-8-20/h6-7,12,14H,2-5,8-11,13H2,1H3/t14-/m0/s1 FLSOPDBNBOFSSL-AWEZNQCLSA-N 50431505 CHEMBL2348701 Caspase-7 Homo sapiens 40 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431505&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71583083 164160380 CHEMBL2348701 ZINC95605226 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058007 FCCOC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C15H17FN2O5S/c16-5-7-23-9-10-2-1-6-18(10)24(21,22)11-3-4-13-12(8-11)14(19)15(20)17-13/h3-4,8,10H,1-2,5-7,9H2,(H,17,19,20)/t10-/m0/s1 JIGINUVOBXKAOL-JTQLQIEISA-N 50431506 CHEMBL2348700 Caspase-7 Homo sapiens 1330 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431506&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71583082 164160381 CHEMBL2348700 ZINC95604471 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058008 CCOC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 InChI=1S/C19H25FN2O5S/c1-2-27-13-14-6-5-11-22(14)28(25,26)15-7-8-17-16(12-15)18(23)19(24)21(17)10-4-3-9-20/h7-8,12,14H,2-6,9-11,13H2,1H3/t14-/m0/s1 ONFHORMKUAUOAQ-AWEZNQCLSA-N 50431507 CHEMBL2348699 Caspase-7 Homo sapiens 218 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431507&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71583081 164160382 CHEMBL2348699 ZINC95603828 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058009 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCC InChI=1S/C19H26N2O5S/c1-3-5-10-20-17-9-8-15(12-16(17)18(22)19(20)23)27(24,25)21-11-6-7-14(21)13-26-4-2/h8-9,12,14H,3-7,10-11,13H2,1-2H3/t14-/m0/s1 LRIRHRYRLCJRQA-AWEZNQCLSA-N 50431508 CHEMBL2348698 Caspase-7 Homo sapiens 65 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431508&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71583080 164160383 CHEMBL2348698 ZINC95604446 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058010 CCOC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C15H18N2O5S/c1-2-22-9-10-4-3-7-17(10)23(20,21)11-5-6-13-12(8-11)14(18)15(19)16-13/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,18,19)/t10-/m0/s1 HXUPHCGGBPAAGP-JTQLQIEISA-N 50431509 CHEMBL2348697 Caspase-7 Homo sapiens 13 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431509&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71583079 164160384 CHEMBL2348697 ZINC95601417 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058011 COCCCC1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 InChI=1S/C20H27FN2O5S/c1-28-13-5-7-15-6-4-12-23(15)29(26,27)16-8-9-18-17(14-16)19(24)20(25)22(18)11-3-2-10-21/h8-9,14-15H,2-7,10-13H2,1H3 ARFCZUGOPLBBRE-UHFFFAOYSA-N 50431510 CHEMBL2348696 Caspase-7 Homo sapiens 34 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431510&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71583078 164160385 CHEMBL2348696 ZINC95601230 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058012 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCCC1CCCOC InChI=1S/C20H28N2O5S/c1-3-4-11-21-18-10-9-16(14-17(18)19(23)20(21)24)28(25,26)22-12-5-7-15(22)8-6-13-27-2/h9-10,14-15H,3-8,11-13H2,1-2H3 VOOBNDVVTJIXRQ-UHFFFAOYSA-N 50431511 CHEMBL2348695 Caspase-7 Homo sapiens 515 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431511&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71582975 164160386 CHEMBL2348695 ZINC95604707 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058013 COCCCC1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C16H20N2O5S/c1-23-9-3-5-11-4-2-8-18(11)24(21,22)12-6-7-14-13(10-12)15(19)16(20)17-14/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,19,20) SPDJJLYKOMVCHO-UHFFFAOYSA-N 50431512 CHEMBL2348694 Caspase-7 Homo sapiens 125 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431512&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71582974 164160387 CHEMBL2348694 ZINC95602186 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058014 COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 InChI=1S/C19H25FN2O5S/c1-27-12-8-14-5-4-11-22(14)28(25,26)15-6-7-17-16(13-15)18(23)19(24)21(17)10-3-2-9-20/h6-7,13-14H,2-5,8-12H2,1H3/t14-/m0/s1 RLJGXAITFUWYPG-AWEZNQCLSA-N 50431513 CHEMBL2348693 Caspase-7 Homo sapiens 12 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431513&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71582973 164160388 CHEMBL2348693 ZINC95605898 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058015 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1CCOC InChI=1S/C19H26N2O5S/c1-3-4-10-20-17-8-7-15(13-16(17)18(22)19(20)23)27(24,25)21-11-5-6-14(21)9-12-26-2/h7-8,13-14H,3-6,9-12H2,1-2H3/t14-/m0/s1 LBLRFYICWPZBDS-AWEZNQCLSA-N 50431514 CHEMBL2348692 Caspase-7 Homo sapiens 25 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431514&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71582972 164160389 CHEMBL2348692 ZINC95602232 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058016 COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C15H18N2O5S/c1-22-8-6-10-3-2-7-17(10)23(20,21)11-4-5-13-12(9-11)14(18)15(19)16-13/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,18,19)/t10-/m0/s1 YYHQMSJBLNLPNZ-JTQLQIEISA-N 50431515 CHEMBL2348691 Caspase-7 Homo sapiens 540 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431515&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71582971 164160390 CHEMBL2348691 ZINC95601912 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058062 FCCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCC(F)(F)F InChI=1S/C19H22F4N2O5S/c20-7-1-2-8-24-16-6-5-14(10-15(16)17(26)18(24)27)31(28,29)25-9-3-4-13(25)11-30-12-19(21,22)23/h5-6,10,13H,1-4,7-9,11-12H2/t13-/m0/s1 HOUWXSCEZSJNPK-ZDUSSCGKSA-N 50431516 CHEMBL2348861 Caspase-7 Homo sapiens 265 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431516&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71583194 164160391 CHEMBL2348861 ZINC95605264 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058063 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COCC(F)(F)F InChI=1S/C19H23F3N2O5S/c1-2-3-8-23-16-7-6-14(10-15(16)17(25)18(23)26)30(27,28)24-9-4-5-13(24)11-29-12-19(20,21)22/h6-7,10,13H,2-5,8-9,11-12H2,1H3/t13-/m0/s1 AJJFEZDYZOETDJ-ZDUSSCGKSA-N 50431517 CHEMBL2348860 Caspase-7 Homo sapiens 7.5 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431517&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71583193 164160392 CHEMBL2348860 ZINC95601932 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51058064 FC(F)(F)COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C15H15F3N2O5S/c16-15(17,18)8-25-7-9-2-1-5-20(9)26(23,24)10-3-4-12-11(6-10)13(21)14(22)19-12/h3-4,6,9H,1-2,5,7-8H2,(H,19,21,22)/t9-/m0/s1 GVDPRYVLNDBZSG-VIFPVBQESA-N 50431518 CHEMBL2348859 Caspase-7 Homo sapiens 1420 ChEMBL 10.1016/j.bmc.2013.01.011 10.7270/Q25D8T5H 23411396 Limpachayaporn, P; Schafers, M; Schober, O; Kopka, K; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50431518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50431518&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71583192 164160393 CHEMBL2348859 ZINC95605331 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 258 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1)C=O InChI=1S/C19H18N2O9S/c22-10-13(7-17(24)25)21-18(26)12-3-1-11(2-4-12)9-20-31(29,30)14-5-6-16(23)15(8-14)19(27)28/h1-6,8,10,13,20,23H,7,9H2,(H,21,26)(H,24,25)(H,27,28)/t13-/m0/s1 FMTZTJFXNZOBIQ-ZDUSSCGKSA-N 220 5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}phenyl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Inhibitor 3 Caspase-7 Homo sapiens 470 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm020230j 10.7270/Q2B56GW5 12408711 aid1795219 Choong, IC; Lew, W; Lee, D; Pham, P; Burdett, MT; Lam, JW; Wiesmann, C; Luong, TN; Fahr, B; DeLano, WL; McDowell, RS; Allen, DA; Erlanson, DA; Gordon, EM; O'Brien, T Sunesis Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=220&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 5327302 8030145 ZINC13491992 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 259 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O InChI=1S/C18H17N3O9S/c22-9-12(5-16(24)25)21-17(26)10-1-2-11(19-7-10)8-20-31(29,30)13-3-4-15(23)14(6-13)18(27)28/h1-4,6-7,9,12,20,23H,5,8H2,(H,21,26)(H,24,25)(H,27,28)/t12-/m0/s1 BZEURKGKCWHMON-LBPRGKRZSA-N 221 5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}pyridin-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Inhibitor 4::Pyridine Scaffold 4 Caspase-7 Homo sapiens 130 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm020230j 10.7270/Q2B56GW5 12408711 aid1795219 Choong, IC; Lew, W; Lee, D; Pham, P; Burdett, MT; Lam, JW; Wiesmann, C; Luong, TN; Fahr, B; DeLano, WL; McDowell, RS; Allen, DA; Erlanson, DA; Gordon, EM; O'Brien, T Sunesis Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=221&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 5327304 8030146 ZINC13491971 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 260 CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O InChI=1S/C27H27ClN2O7S2/c1-30(12-16-6-8-22(31)19(10-16)27(36)37)13-18-7-9-24(39-18)26(35)29-21(11-25(33)34)23(32)15-38-14-17-4-2-3-5-20(17)28/h2-10,21,31H,11-15H2,1H3,(H,29,35)(H,33,34)(H,36,37)/t21-/m0/s1 FIEQQFOHZKVJLV-NRFANRHFSA-N 219 5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}thiophen-2-yl)methyl](methyl)amino}methyl)-2-hydroxybenzoic acid::Inhibitor 47c::Thiophene Scaffold 47c Caspase-7 Homo sapiens 190 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm020230j 10.7270/Q2B56GW5 12408711 aid1795219 Choong, IC; Lew, W; Lee, D; Pham, P; Burdett, MT; Lam, JW; Wiesmann, C; Luong, TN; Fahr, B; DeLano, WL; McDowell, RS; Allen, DA; Erlanson, DA; Gordon, EM; O'Brien, T Sunesis Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=219&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 5327301 8030144 ZINC14942804 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 261 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl InChI=1S/C26H24ClN3O9S2/c27-20-4-2-1-3-16(20)13-40-14-23(32)21(10-24(33)34)30-25(35)15-5-6-17(28-11-15)12-29-41(38,39)18-7-8-22(31)19(9-18)26(36)37/h1-9,11,21,29,31H,10,12-14H2,(H,30,35)(H,33,34)(H,36,37)/t21-/m0/s1 AYQUXMOMSNPZEF-NRFANRHFSA-N 222 (S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfanyl)-2-oxo-propylcarbamoyl]pyridin-2-ylmethyl}sulfamoyl)-2-hydroxy-benzoic Acid::5-{[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}pyridin-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Pyridine Scaffold 59 Caspase-7 Homo sapiens 90 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm020230j 10.7270/Q2B56GW5 12408711 aid1795219 Choong, IC; Lew, W; Lee, D; Pham, P; Burdett, MT; Lam, JW; Wiesmann, C; Luong, TN; Fahr, B; DeLano, WL; McDowell, RS; Allen, DA; Erlanson, DA; Gordon, EM; O'Brien, T Sunesis Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=222&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 5327305 8030147 ZINC14942805 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 262 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl InChI=1S/C25H23ClN4O9S2/c26-18-4-2-1-3-14(18)12-40-13-21(32)19(8-23(33)34)30-24(35)15-9-27-22(28-10-15)11-29-41(38,39)16-5-6-20(31)17(7-16)25(36)37/h1-7,9-10,19,29,31H,8,11-13H2,(H,30,35)(H,33,34)(H,36,37)/t19-/m0/s1 NAJZBQCCBCKDIT-IBGZPJMESA-N 223 (S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfanyl)-2-oxo-propylcarbamoyl]pyrimidin-2-ylmethyl}sulfamoyl)-2-hydroxy-benzoic Acid::5-{[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}pyrimidin-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Heterocyclic deriv. 62b::Inhibitor 62b Caspase-7 Homo sapiens 90 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm020230j 10.7270/Q2B56GW5 12408711 aid1795219 Choong, IC; Lew, W; Lee, D; Pham, P; Burdett, MT; Lam, JW; Wiesmann, C; Luong, TN; Fahr, B; DeLano, WL; McDowell, RS; Allen, DA; Erlanson, DA; Gordon, EM; O'Brien, T Sunesis Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 10963183 8030148 ZINC27558682 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 263 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl InChI=1S/C24H22ClN3O9S3/c25-16-4-2-1-3-13(16)11-38-12-19(30)17(8-22(31)32)28-23(33)20-9-26-21(39-20)10-27-40(36,37)14-5-6-18(29)15(7-14)24(34)35/h1-7,9,17,27,29H,8,10-12H2,(H,28,33)(H,31,32)(H,34,35)/t17-/m0/s1 VCWYKJKQZUPTQP-KRWDZBQOSA-N 224 (S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfanyl)-2-oxo-propylcarbamoyl]thiazol-2-hydroxy-benzoic Acidylmethyl}sulfamoyl)-2-::5-{[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}-1,3-thiazol-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Heterocyclic deriv. 64b::Inhibitor 64b Caspase-7 Homo sapiens 90 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm020230j 10.7270/Q2B56GW5 12408711 aid1795219 Choong, IC; Lew, W; Lee, D; Pham, P; Burdett, MT; Lam, JW; Wiesmann, C; Luong, TN; Fahr, B; DeLano, WL; McDowell, RS; Allen, DA; Erlanson, DA; Gordon, EM; O'Brien, T Sunesis Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=224&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 5327307 8030149 ZINC27555410 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 264 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O InChI=1S/C17H16N2O9S2/c20-8-9(5-15(22)23)19-16(24)14-4-1-10(29-14)7-18-30(27,28)11-2-3-13(21)12(6-11)17(25)26/h1-4,6,8-9,18,21H,5,7H2,(H,19,24)(H,22,23)(H,25,26)/t9-/m0/s1 VUJHWZDCLPHWMO-VIFPVBQESA-N 225 (S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thiophen-2-ylmethyl]sulfamoyl}-2-hydroxy-benzoic Acid::5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}thiophen-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Inhibitor 66a::Thiophene Scaffold 66a Caspase-7 Homo sapiens 120 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm020230j 10.7270/Q2B56GW5 12408711 aid1795219 Choong, IC; Lew, W; Lee, D; Pham, P; Burdett, MT; Lam, JW; Wiesmann, C; Luong, TN; Fahr, B; DeLano, WL; McDowell, RS; Allen, DA; Erlanson, DA; Gordon, EM; O'Brien, T Sunesis Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=225&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 5327308 8030150 ZINC13491987 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 265 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl InChI=1S/C25H23ClN2O9S3/c26-18-4-2-1-3-14(18)12-38-13-21(30)19(10-23(31)32)28-24(33)22-8-5-15(39-22)11-27-40(36,37)16-6-7-20(29)17(9-16)25(34)35/h1-9,19,27,29H,10-13H2,(H,28,33)(H,31,32)(H,34,35)/t19-/m0/s1 ZOVHWLRITDMPBF-IBGZPJMESA-N 226 (S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfanyl)-2-oxo-propylcarbamoyl]thiophen-2-ylmethyl}sulfamoyl)-2-hydroxy-benzoic Acid::5-{[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}thiophen-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Inhibitor 66b::Thiophene Scaffold 66b Caspase-7 Homo sapiens 130 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm020230j 10.7270/Q2B56GW5 12408711 aid1795219 Choong, IC; Lew, W; Lee, D; Pham, P; Burdett, MT; Lam, JW; Wiesmann, C; Luong, TN; Fahr, B; DeLano, WL; McDowell, RS; Allen, DA; Erlanson, DA; Gordon, EM; O'Brien, T Sunesis Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=226&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 5327309 8030151 ZINC27557896 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 266 Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl InChI=1S/C26H25ClN2O9S3/c1-14-8-16(11-28-41(37,38)17-6-7-21(30)18(9-17)26(35)36)40-24(14)25(34)29-20(10-23(32)33)22(31)13-39-12-15-4-2-3-5-19(15)27/h2-9,20,28,30H,10-13H2,1H3,(H,29,34)(H,32,33)(H,35,36)/t20-/m0/s1 PZMBYHSWPUMKMR-FQEVSTJZSA-N 227 (S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfanyl)-2-oxo-propylcarbamoyl]-4-methyl-thiophen-2-ylmethyl}-sulfamoyl)-2-hydroxy-benzoic Acid::5-{[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}-4-methylthiophen-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Heterocyclic deriv. 69b::Inhibitor 69b Caspase-7 Homo sapiens 940 7.4 25.00 C Curated from the literature by BindingDB 10.1021/jm020230j 10.7270/Q2B56GW5 12408711 aid1795219 Choong, IC; Lew, W; Lee, D; Pham, P; Burdett, MT; Lam, JW; Wiesmann, C; Luong, TN; Fahr, B; DeLano, WL; McDowell, RS; Allen, DA; Erlanson, DA; Gordon, EM; O'Brien, T Sunesis Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=227&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 5327310 8030152 ZINC27553709 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17039 O=C1NC(=O)c2ccccc2C1=O InChI=1S/C9H5NO3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13/h1-4H,(H,10,12,13) YIOFGHHAURBGSJ-UHFFFAOYSA-N 10247 1,2,3,4-tetrahydroisoquinoline-1,3,4-trione::Isoquinoline-1,3,4-trione 1::hsp90_153 Caspase-7 Homo sapiens 386 Curated from the literature by BindingDB 10.1021/jm050896o 10.7270/Q23N21MB 16509578 aid1796413 Chen, YH; Zhang, YH; Zhang, HJ; Liu, DZ; Gu, M; Li, JY; Wu, F; Zhu, XZ; Li, J; Nan, FJ Shanghai Institutes for Biological Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10247&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search RXA 3DEH 10640 46509315 ZINC01599708 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17040 CC(=O)OC(C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12)c1ccccc1 InChI=1S/C19H14N2O6/c1-10(22)27-16(11-6-3-2-4-7-11)19(26)20-13-9-5-8-12-14(13)15(23)18(25)21-17(12)24/h2-9,16H,1H3,(H,20,26)(H,21,24,25) NKBDSMREMMRFSI-UHFFFAOYSA-N 10264 2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate::Isoquinoline-1,3,4-trione 6k::phenyl[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]methyl acetate Caspase-7 Homo sapiens 63 Curated from the literature by BindingDB 10.1021/jm050896o 10.7270/Q23N21MB 16509578 aid1796413 Chen, YH; Zhang, YH; Zhang, HJ; Liu, DZ; Gu, M; Li, JY; Wu, F; Zhu, XZ; Li, J; Nan, FJ Shanghai Institutes for Biological Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10264&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search RXB 3DEI 11632008 46510892 ZINC13683220 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17041 ClCCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1 InChI=1S/C12H9ClN2O4/c13-4-3-9(16)14-6-1-2-7-8(5-6)10(17)12(19)15-11(7)18/h1-2,5H,3-4H2,(H,14,16)(H,15,18,19) XNELIBGPKZNEOG-UHFFFAOYSA-N 10278 3-Chloro-N-(1,2,3,4-tetrahydro-1,3,4-trioxoisoquinolin-6-yl)-propanamide::3-chloro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide::Isoquinoline-1,3,4-trione 9k Caspase-7 Homo sapiens 139 Curated from the literature by BindingDB 10.1021/jm050896o 10.7270/Q23N21MB 16509578 aid1796413 Chen, YH; Zhang, YH; Zhang, HJ; Liu, DZ; Gu, M; Li, JY; Wu, F; Zhu, XZ; Li, J; Nan, FJ Shanghai Institutes for Biological Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10278&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11543714 46510906 ZINC13683257 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17042 OC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1 InChI=1S/C13H10N2O6/c16-9(3-4-10(17)18)14-6-1-2-7-8(5-6)11(19)13(21)15-12(7)20/h1-2,5H,3-4H2,(H,14,16)(H,17,18)(H,15,20,21) RZIOHTDLDUFVCW-UHFFFAOYSA-N 10280 3-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)carbamoyl]propanoic acid::Isoquinoline-1,3,4-trione 12a::N-(1,3,4-Trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamic acid Caspase-7 Homo sapiens 136 Curated from the literature by BindingDB 10.1021/jm050896o 10.7270/Q23N21MB 16509578 aid1796413 Chen, YH; Zhang, YH; Zhang, HJ; Liu, DZ; Gu, M; Li, JY; Wu, F; Zhu, XZ; Li, J; Nan, FJ Shanghai Institutes for Biological Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10280&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11572844 46510908 ZINC13683263 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17043 O=C(CCC(=O)N1CCCCC1)Nc1ccc2C(=O)NC(=O)C(=O)c2c1 InChI=1S/C18H19N3O5/c22-14(6-7-15(23)21-8-2-1-3-9-21)19-11-4-5-12-13(10-11)16(24)18(26)20-17(12)25/h4-5,10H,1-3,6-9H2,(H,19,22)(H,20,25,26) OZAFISSWLZQMIS-UHFFFAOYSA-N 10284 4-Oxo-4-piperidin-1-yl-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-butyramide::4-oxo-4-(piperidin-1-yl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide::Isoquinoline-1,3,4-trione 13c Caspase-7 Homo sapiens 64 Curated from the literature by BindingDB 10.1021/jm050896o 10.7270/Q23N21MB 16509578 aid1796413 Chen, YH; Zhang, YH; Zhang, HJ; Liu, DZ; Gu, M; Li, JY; Wu, F; Zhu, XZ; Li, J; Nan, FJ Shanghai Institutes for Biological Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10284&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11639020 46510912 ZINC13683277 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17044 COc1ccccc1NC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1 InChI=1S/C20H17N3O6/c1-29-15-5-3-2-4-14(15)22-17(25)9-8-16(24)21-11-6-7-12-13(10-11)18(26)20(28)23-19(12)27/h2-7,10H,8-9H2,1H3,(H,21,24)(H,22,25)(H,23,27,28) CXBBLGYLOAZXJT-UHFFFAOYSA-N 10287 Isoquinoline-1,3,4-trione 13f::N-(2-Methoxy-phenyl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamide::N-(2-methoxyphenyl)-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide Caspase-7 Homo sapiens 218 Curated from the literature by BindingDB 10.1021/jm050896o 10.7270/Q23N21MB 16509578 aid1796413 Chen, YH; Zhang, YH; Zhang, HJ; Liu, DZ; Gu, M; Li, JY; Wu, F; Zhu, XZ; Li, J; Nan, FJ Shanghai Institutes for Biological Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10287&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11646889 46510915 ZINC13683289 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17045 O=C(Nc1ccc2C(=O)C(=O)NC(=O)c2c1)c1ccc(cc1)N(=O)=O InChI=1S/C16H9N3O6/c20-13-11-6-3-9(7-12(11)15(22)18-16(13)23)17-14(21)8-1-4-10(5-2-8)19(24)25/h1-7H,(H,17,21)(H,18,22,23) NGYGGBLAVBSGBJ-UHFFFAOYSA-N 10295 4-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide::Isoquinoline-1,3,4-trione 14c::N-(1,2,3,4-Tetrahydro-1,3,4-trioxoisoquinolin-7-yl)-4-nitrobenzamide Caspase-7 Homo sapiens 2710 Curated from the literature by BindingDB 10.1021/jm050896o 10.7270/Q23N21MB 16509578 aid1796413 Chen, YH; Zhang, YH; Zhang, HJ; Liu, DZ; Gu, M; Li, JY; Wu, F; Zhu, XZ; Li, J; Nan, FJ Shanghai Institutes for Biological Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10295&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11652994 46510923 C06058 ZINC13683182 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 16921 FC(F)(F)c1cccc(c1)-c1csc(n1)C1COc2ccccc2O1 InChI=1S/C18H12F3NO2S/c19-18(20,21)12-5-3-4-11(8-12)13-10-25-17(22-13)16-9-23-14-6-1-2-7-15(14)24-16/h1-8,10,16H,9H2 FPXQYPGVDNEQKU-UHFFFAOYSA-N 10215 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole::BI-9B12::Burnham Institute Compound 1 Caspase-7 Homo sapiens 6200 Curated from the literature by BindingDB 10.1021/jm0493212 10.7270/Q2GT5KDJ 15743206 aid1796405 Fattorusso, R; Jung, D; Crowell, KJ; Forino, M; Pellecchia, M Burnham Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10215&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 608841 46510846 ZINC05280272 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 16922 CCOC(=O)c1csc(n1)C1COc2ccccc2O1 InChI=1S/C14H13NO4S/c1-2-17-14(16)9-8-20-13(15-9)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,8,12H,2,7H2,1H3 BSHNUKBUTVBBHI-UHFFFAOYSA-N 10216 BI-7E7::Burnham Institute Compound 2::ethyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-4-carboxylate Caspase-7 Homo sapiens 46000 Curated from the literature by BindingDB 10.1021/jm0493212 10.7270/Q2GT5KDJ 15743206 aid1796405 Fattorusso, R; Jung, D; Crowell, KJ; Forino, M; Pellecchia, M Burnham Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10216&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2779120 46510847 ZINC00161305 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 16923 O=C(NCc1ccco1)c1csc(n1)C1COc2ccccc2O1 InChI=1S/C17H14N2O4S/c20-16(18-8-11-4-3-7-21-11)12-10-24-17(19-12)15-9-22-13-5-1-2-6-14(13)23-15/h1-7,10,15H,8-9H2,(H,18,20) HBFIGRZWORPLGB-UHFFFAOYSA-N 10217 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide::BI-9C8::Burnham Institute Compound 3 Caspase-7 Homo sapiens >200000 Curated from the literature by BindingDB 10.1021/jm0493212 10.7270/Q2GT5KDJ 15743206 aid1796405 Fattorusso, R; Jung, D; Crowell, KJ; Forino, M; Pellecchia, M Burnham Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10217&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2821636 46510848 ZINC00168650 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 16924 O=C(Oc1ccccc1)c1csc(n1)C1COc2ccccc2O1 InChI=1S/C18H13NO4S/c20-18(22-12-6-2-1-3-7-12)13-11-24-17(19-13)16-10-21-14-8-4-5-9-15(14)23-16/h1-9,11,16H,10H2 HEKHUTSUFJPTQY-UHFFFAOYSA-N 10218 BI-9C3::Burnham Institute Compound 4::phenyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-4-carboxylate Caspase-7 Homo sapiens >200000 Curated from the literature by BindingDB 10.1021/jm0493212 10.7270/Q2GT5KDJ 15743206 aid1796405 Fattorusso, R; Jung, D; Crowell, KJ; Forino, M; Pellecchia, M Burnham Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10218&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2821640 46510849 ZINC00168662 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 16925 O=C(Sc1cccs1)c1csc(n1)C1COc2ccccc2O1 InChI=1S/C16H11NO3S3/c18-16(23-14-6-3-7-21-14)10-9-22-15(17-10)13-8-19-11-4-1-2-5-12(11)20-13/h1-7,9,13H,8H2 CZEDIMGCHBDRMM-UHFFFAOYSA-N 10219 BI-9B11::Burnham Institute Compound 5::[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl](thiophen-2-ylsulfanyl)methanone Caspase-7 Homo sapiens >200000 Curated from the literature by BindingDB 10.1021/jm0493212 10.7270/Q2GT5KDJ 15743206 aid1796405 Fattorusso, R; Jung, D; Crowell, KJ; Forino, M; Pellecchia, M Burnham Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10219&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2821595 46509314 ZINC04362001 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 16926 OC(=O)c1csc(n1)C1COc2ccccc2O1 InChI=1S/C12H9NO4S/c14-12(15)7-6-18-11(13-7)10-5-16-8-3-1-2-4-9(8)17-10/h1-4,6,10H,5H2,(H,14,15) OTPNRLRDUARFBI-UHFFFAOYSA-N 10220 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-4-carboxylic acid::BI-9C1::Burnham Institute Compound 6 Caspase-7 Homo sapiens 170000 Curated from the literature by BindingDB 10.1021/jm0493212 10.7270/Q2GT5KDJ 15743206 aid1796405 Fattorusso, R; Jung, D; Crowell, KJ; Forino, M; Pellecchia, M Burnham Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10220&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2821593 46510850 ZINC00161308 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 16927 CN(C)C(=O)c1csc(n1)C1COc2ccccc2O1 InChI=1S/C14H14N2O3S/c1-16(2)14(17)9-8-20-13(15-9)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,8,12H,7H2,1-2H3 VSVNXLFCAZVTOC-UHFFFAOYSA-N 10221 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide::BI-9C7::Burnham Institute Compound 7 Caspase-7 Homo sapiens >200000 Curated from the literature by BindingDB 10.1021/jm0493212 10.7270/Q2GT5KDJ 15743206 aid1796405 Fattorusso, R; Jung, D; Crowell, KJ; Forino, M; Pellecchia, M Burnham Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10221&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2821634 46510851 ZINC00168644 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 16928 Clc1ccc(OC(=O)c2csc(n2)C2COc3ccccc3O2)cc1 InChI=1S/C18H12ClNO4S/c19-11-5-7-12(8-6-11)23-18(21)13-10-25-17(20-13)16-9-22-14-3-1-2-4-15(14)24-16/h1-8,10,16H,9H2 MVKZURMOBYUBHT-UHFFFAOYSA-N 10222 4-chlorophenyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-4-carboxylate::BI-9C4::Burnham Institute Compound 8 Caspase-7 Homo sapiens >200000 Curated from the literature by BindingDB 10.1021/jm0493212 10.7270/Q2GT5KDJ 15743206 aid1796405 Fattorusso, R; Jung, D; Crowell, KJ; Forino, M; Pellecchia, M Burnham Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10222&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2821639 46510852 ZINC04362050 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 16929 CCOC(=O)c1sc(nc1C)C1COc2ccccc2O1 InChI=1S/C15H15NO4S/c1-3-18-15(17)13-9(2)16-14(21-13)12-8-19-10-6-4-5-7-11(10)20-12/h4-7,12H,3,8H2,1-2H3 MOSJTQZOIWTIRU-UHFFFAOYSA-N 10223 BI-9C5::Burnham Institute Compound 9::ethyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-methyl-1,3-thiazole-5-carboxylate Caspase-7 Homo sapiens >200000 Curated from the literature by BindingDB 10.1021/jm0493212 10.7270/Q2GT5KDJ 15743206 aid1796405 Fattorusso, R; Jung, D; Crowell, KJ; Forino, M; Pellecchia, M Burnham Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10223&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2821660 46510853 ZINC00168723 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 16930 O=C(N1CCOCC1)c1csc(n1)C1COc2ccccc2O1 InChI=1S/C16H16N2O4S/c19-16(18-5-7-20-8-6-18)11-10-23-15(17-11)14-9-21-12-3-1-2-4-13(12)22-14/h1-4,10,14H,5-9H2 IZOPLHPCKOSQQN-UHFFFAOYSA-N 10224 4-{[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl]carbonyl}morpholine::BI-9C2::Burnham Institute Compound 10 Caspase-7 Homo sapiens >200000 Curated from the literature by BindingDB 10.1021/jm0493212 10.7270/Q2GT5KDJ 15743206 aid1796405 Fattorusso, R; Jung, D; Crowell, KJ; Forino, M; Pellecchia, M Burnham Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10224&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2821632 46510854 ZINC00168625 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 16931 Cc1nc(sc1C(O)=O)C1COc2ccccc2O1 InChI=1S/C13H11NO4S/c1-7-11(13(15)16)19-12(14-7)10-6-17-8-4-2-3-5-9(8)18-10/h2-5,10H,6H2,1H3,(H,15,16) YZKRTPGIMBIDMW-UHFFFAOYSA-N 10225 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid::BI-9C6::Burnham Institute Compound 11 Caspase-7 Homo sapiens >200000 Curated from the literature by BindingDB 10.1021/jm0493212 10.7270/Q2GT5KDJ 15743206 aid1796405 Fattorusso, R; Jung, D; Crowell, KJ; Forino, M; Pellecchia, M Burnham Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10225&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2821679 46510855 ZINC00168809 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17882 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2)c1 InChI=1S/C27H34N2O7S/c1-17(2)26(29-24(31)13-19-12-20(35-3)10-11-23(19)36-4)27(34)28-21(14-25(32)33)22(30)16-37-15-18-8-6-5-7-9-18/h5-12,17,21,26H,13-16H2,1-4H3,(H,28,34)(H,29,31)(H,32,33)/t21-,26-/m0/s1 LZUSNJFQIBHZRE-LVXARBLLSA-N 10548 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(2,5-dimethoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 27::valine aspartyl ketone analog 1 Caspase-7 Homo sapiens 3200 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10548&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9807028 46511156 ZINC03993750 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17883 CC(C)[C@H](NC(=O)c1cc(Br)cc(Br)c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C24H26Br2N2O5S/c1-14(2)22(28-23(32)16-8-17(25)10-18(26)9-16)24(33)27-19(11-21(30)31)20(29)13-34-12-15-6-4-3-5-7-15/h3-10,14,19,22H,11-13H2,1-2H3,(H,27,33)(H,28,32)(H,30,31)/t19-,22-/m0/s1 IBUIGAOZEYCWCZ-UGKGYDQZSA-N 10660 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(3,5-dibromophenyl)formamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone analog 2 Caspase-7 Homo sapiens 1500 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10660&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645306 46511256 ZINC14947380 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17884 CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C26H28FN3O5S/c1-15(2)24(30-25(34)21-11-17-10-18(27)8-9-19(17)28-21)26(35)29-20(12-23(32)33)22(31)14-36-13-16-6-4-3-5-7-16/h3-11,15,20,24,28H,12-14H2,1-2H3,(H,29,35)(H,30,34)(H,32,33)/t20-,24-/m0/s1 XESSXNSMLGKGGE-RDPSFJRHSA-N 10661 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(5-fluoro-1H-indol-2-yl)formamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone analog 3 Caspase-7 Homo sapiens 1400 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10661&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645307 46511257 ZINC13589575 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17885 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC(C)C)c1 InChI=1S/C24H36N2O7S/c1-14(2)12-34-13-19(27)18(11-22(29)30)25-24(31)23(15(3)4)26-21(28)10-16-9-17(32-5)7-8-20(16)33-6/h7-9,14-15,18,23H,10-13H2,1-6H3,(H,25,31)(H,26,28)(H,29,30)/t18-,23-/m0/s1 YGXQPSGGFNXMEK-MBSDFSHPSA-N 10662 (3S)-3-[(2S)-2-[1-(2,5-dimethoxyphenyl)acetamido]-3-methylbutanamido]-5-[(2-methylpropyl)sulfanyl]-4-oxopentanoic acid::valine aspartyl ketone analog 4 Caspase-7 Homo sapiens 1800 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10662&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 10074552 46511258 ZINC13589576 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17889 COc1cccc(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2)c1 InChI=1S/C26H32N2O6S/c1-17(2)25(28-23(30)13-19-10-7-11-20(12-19)34-3)26(33)27-21(14-24(31)32)22(29)16-35-15-18-8-5-4-6-9-18/h4-12,17,21,25H,13-16H2,1-3H3,(H,27,33)(H,28,30)(H,31,32)/t21-,25-/m0/s1 RHPCNWBBSVNQEY-OFVILXPXSA-N 10666 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(3-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone analog 8 Caspase-7 Homo sapiens 3100 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10666&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645308 46511262 ZINC13589579 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17890 CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C25H30N2O5S/c1-17(2)24(27-22(29)13-18-9-5-3-6-10-18)25(32)26-20(14-23(30)31)21(28)16-33-15-19-11-7-4-8-12-19/h3-12,17,20,24H,13-16H2,1-2H3,(H,26,32)(H,27,29)(H,30,31)/t20-,24-/m0/s1 WKXYWPGXIYWMSC-RDPSFJRHSA-N 10536 (3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phenylacetamido)butanamido]-4-oxopentanoic acid::valine aspartyl ketone 15::valine aspartyl ketone analog 9 Caspase-7 Homo sapiens 8400 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10536&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645239 46511144 ZINC13589580 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17891 COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C26H31BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20,25H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,25-/m0/s1 VGTVMULINBNZTO-CPJSRVTESA-N 10527 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::BROMOMETHOXYPHENYL INHIBITOR::valine aspartyl ketone 29::valine aspartyl ketone 6::valine aspartyl ketone analog 10 Caspase-7 Homo sapiens 3100 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10527&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645230 46511135 ZINC14947273 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17892 CCOc1ccc(OCC(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl InChI=1S/C30H36ClFN2O9S/c1-5-42-25-10-9-19(43-14-28(39)41-4)11-18(25)12-26(36)34-29(17(2)3)30(40)33-23(13-27(37)38)24(35)16-44-15-20-21(31)7-6-8-22(20)32/h6-11,17,23,29H,5,12-16H2,1-4H3,(H,33,40)(H,34,36)(H,37,38)/t23-,29-/m0/s1 NQQYDLPVVQFZEU-IADCTJSHSA-N 10669 (3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(2S)-2-{1-[2-ethoxy-5-(2-methoxy-2-oxoethoxy)phenyl]acetamido}-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone analog 11 Caspase-7 Homo sapiens 1700 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10669&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645309 46511263 ZINC27884110 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17893 CCOc1ccc(OCC(=O)OC(C)C)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl InChI=1S/C32H40ClFN2O9S/c1-6-43-27-11-10-21(44-15-30(41)45-19(4)5)12-20(27)13-28(38)36-31(18(2)3)32(42)35-25(14-29(39)40)26(37)17-46-16-22-23(33)8-7-9-24(22)34/h7-12,18-19,25,31H,6,13-17H2,1-5H3,(H,35,42)(H,36,38)(H,39,40)/t25-,31-/m0/s1 ONTIHFQUOFXRIF-FKAPRUDGSA-N 10670 (3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(2S)-2-(1-{2-ethoxy-5-[2-oxo-2-(propan-2-yloxy)ethoxy]phenyl}acetamido)-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone analog 12 Caspase-7 Homo sapiens 2300 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10670&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9939773 46511264 ZINC03993752 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17894 CCOc1ccc(OCC(O)=O)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl InChI=1S/C29H34ClFN2O9S/c1-4-41-24-9-8-18(42-13-27(38)39)10-17(24)11-25(35)33-28(16(2)3)29(40)32-22(12-26(36)37)23(34)15-43-14-19-20(30)6-5-7-21(19)31/h5-10,16,22,28H,4,11-15H2,1-3H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)/t22-,28-/m0/s1 NQNOSUGXDKSHRE-DWACAAAGSA-N 10671 (3S)-3-[(2S)-2-{1-[5-(carboxymethoxy)-2-ethoxyphenyl]acetamido}-3-methylbutanamido]-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxopentanoic acid::valine aspartyl ketone analog 13 Caspase-7 Homo sapiens 360 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10671&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9939287 46511265 ZINC03993753 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17895 CCOc1ccc(\C=C\C(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl InChI=1S/C31H36ClFN2O8S/c1-5-43-26-11-9-19(10-12-29(40)42-4)13-20(26)14-27(37)35-30(18(2)3)31(41)34-24(15-28(38)39)25(36)17-44-16-21-22(32)7-6-8-23(21)33/h6-13,18,24,30H,5,14-17H2,1-4H3,(H,34,41)(H,35,37)(H,38,39)/b12-10+/t24-,30-/m0/s1 BBHZJDWNUYJWFP-FSJABKHUSA-N 10653 (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID::(3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(2S)-2-(1-{2-ethoxy-5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}acetamido)-3-methylbutanamido]-4-oxopentanoic acid::CINNAMIC ACID METHYL ESTER INHIBITOR::Compound 3::valine aspartyl ketone analog 14 Caspase-7 Homo sapiens 24 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10653&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search CNE 1RHR 5287959 46511252 ZINC26494159 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17896 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O InChI=1S/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/m0/s1 RBCPNDRFXKBOQT-CUNXSJBXSA-N 10552 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 31::valine aspartyl ketone analog 15 Caspase-7 Homo sapiens 130 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10552&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645253 46511159 ZINC14947297 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17897 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl)S(C)(=O)=O InChI=1S/C27H32ClFN2O8S2/c1-15(2)26(31-24(33)11-16-10-17(41(4,37)38)8-9-23(16)39-3)27(36)30-21(12-25(34)35)22(32)14-40-13-18-19(28)6-5-7-20(18)29/h5-10,15,21,26H,11-14H2,1-4H3,(H,30,36)(H,31,33)(H,34,35)/t21-,26-/m0/s1 QENZECCKNUZHEO-LVXARBLLSA-N 10674 (3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(2S)-2-[1-(5-methanesulfonyl-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone analog 16 Caspase-7 Homo sapiens 120 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10674&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9809421 46511266 ZINC03993749 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17898 CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1 InChI=1S/C32H40N4O9/c1-19(2)28(32(45)34-23(17-26(38)39)25(37)16-10-13-21-11-6-4-7-12-21)36-29(42)20(3)33-31(44)24(18-27(40)41)35-30(43)22-14-8-5-9-15-22/h4-9,11-12,14-15,19-20,23-24,28H,10,13,16-18H2,1-3H3,(H,33,44)(H,34,45)(H,35,43)(H,36,42)(H,38,39)(H,40,41)/t20-,23-,24-,28-/m0/s1 OMCJYUDICKFVIV-OSIQOQRZSA-N 10675 (3S)-3-[(2S)-2-[(2S)-2-[(3S)-3-formamido-3-(phenylformamido)propanoic acid]propanamido]-3-methylbutanamido]-4-oxo-7-phenylheptanoic acid::Bz-DAVD-phenylpropyl ketone Caspase-7 Homo sapiens 8.4 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10675&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9895375 46511267 ZINC14947385 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17899 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1 UMBVAPCONCILTL-MRHIQRDNSA-N 10246 (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid::Ac-DEVD-CHO::CHEMBL417149 Caspase-7 Homo sapiens 87 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10246&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3H1P 644345 46510875 59385 CHEMBL417149 6527 ZINC03928290 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17886 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2c(F)cccc2Cl)c1 InChI=1S/C27H32ClFN2O7S/c1-15(2)26(31-24(33)11-16-10-17(37-3)8-9-23(16)38-4)27(36)30-21(12-25(34)35)22(32)14-39-13-18-19(28)6-5-7-20(18)29/h5-10,15,21,26H,11-14H2,1-4H3,(H,30,36)(H,31,33)(H,34,35)/t21-,26-/m0/s1 RNMMZKILPCPBLO-LVXARBLLSA-N 10663 (3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(2S)-2-[1-(2,5-dimethoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone analog 5 Caspase-7 Homo sapiens 2500 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10663&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 10031194 46511259 ZINC14947382 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17887 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC2CCCCC2)c1 InChI=1S/C27H40N2O7S/c1-17(2)26(29-24(31)13-19-12-20(35-3)10-11-23(19)36-4)27(34)28-21(14-25(32)33)22(30)16-37-15-18-8-6-5-7-9-18/h10-12,17-18,21,26H,5-9,13-16H2,1-4H3,(H,28,34)(H,29,31)(H,32,33)/t21-,26-/m0/s1 YILDJMOAQGSSRL-LVXARBLLSA-N 10664 (3S)-5-[(cyclohexylmethyl)sulfanyl]-3-[(2S)-2-[1-(2,5-dimethoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone analog 6 Caspase-7 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10664&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 10414828 46511260 ZINC13589577 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17888 COc1ccccc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C26H32N2O6S/c1-17(2)25(28-23(30)13-19-11-7-8-12-22(19)34-3)26(33)27-20(14-24(31)32)21(29)16-35-15-18-9-5-4-6-10-18/h4-12,17,20,25H,13-16H2,1-3H3,(H,27,33)(H,28,30)(H,31,32)/t20-,25-/m0/s1 KAFDAJYQBQRJGM-CPJSRVTESA-N 10665 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone analog 7 Caspase-7 Homo sapiens 2700 Curated from the literature by BindingDB 10.1016/j.bmcl.2003.10.064 10.7270/Q20P0X88 14741294 aid1796494 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10665&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11755713 46511261 ZINC13589578 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17115 CN1C(=O)C(=O)c2cc(ccc12)N(=O)=O InChI=1S/C9H6N2O4/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)9(10)13/h2-4H,1H3 JPTDPTOWOMFBRY-UHFFFAOYSA-N 10297 1-methyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione::Isatin analog 1 Caspase-7 Homo sapiens 290 Curated from the literature by BindingDB 10.1021/jm0100537 10.7270/Q2ZW1J42 11384246 aid1796419 Lee, D; Long, SA; Murray, JH; Adams, JL; Nuttall, ME; Nadeau, DP; Kikly, K; Winkler, JD; Sung, CM; Ryan, MD; Levy, MA; Keller, PM; DeWolf, WE GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10297&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 515950 46509316 C06058 ZINC04141329 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17116 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)N(=O)=O InChI=1S/C15H10N2O4/c18-14-12-8-11(17(20)21)6-7-13(12)16(15(14)19)9-10-4-2-1-3-5-10/h1-8H,9H2 KRWGZAGTABTYNO-UHFFFAOYSA-N 10298 1-benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione::Isatin analog 2 Caspase-7 Homo sapiens 170 Curated from the literature by BindingDB 10.1021/jm0100537 10.7270/Q2ZW1J42 11384246 aid1796419 Lee, D; Long, SA; Murray, JH; Adams, JL; Nuttall, ME; Nadeau, DP; Kikly, K; Winkler, JD; Sung, CM; Ryan, MD; Levy, MA; Keller, PM; DeWolf, WE GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10298&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 10826725 46510925 C06058 ZINC13863068 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17117 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1 SLQMNVJNDYLJSF-VIFPVBQESA-N 10305 (S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isatin::5-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60190::Isatin Sulfonamide 16 Caspase-7 Homo sapiens 170 Curated from the literature by BindingDB 10.1021/jm0100537 10.7270/Q2ZW1J42 11384246 aid1796419 Lee, D; Long, SA; Murray, JH; Adams, JL; Nuttall, ME; Nadeau, DP; Kikly, K; Winkler, JD; Sung, CM; Ryan, MD; Levy, MA; Keller, PM; DeWolf, WE GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10305&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9840223 46510932 CHEMBL60190 ZINC03871900 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17118 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCC1 InChI=1S/C12H12N2O4S/c15-11-9-7-8(3-4-10(9)13-12(11)16)19(17,18)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,13,15,16) QKCWUYHXHMXOLG-UHFFFAOYSA-N 10309 5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2,3-dione::5-[1-(Pyrrolidinyl)sulfonyl]isatin::Isatin Sulfonamide 20 Caspase-7 Homo sapiens 3000 Curated from the literature by BindingDB 10.1021/jm0100537 10.7270/Q2ZW1J42 11384246 aid1796419 Lee, D; Long, SA; Murray, JH; Adams, JL; Nuttall, ME; Nadeau, DP; Kikly, K; Winkler, JD; Sung, CM; Ryan, MD; Levy, MA; Keller, PM; DeWolf, WE GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10309&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 4117381 46510936 ZINC02944777 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17119 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1 InChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)/t14-/m0/s1 UMHSZDAKIVGDNR-AWEZNQCLSA-N 10315 (S)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}isatin::5-{[(2S)-2-[(phenylamino)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin Sulfonamide 26 Caspase-7 Homo sapiens 47 Curated from the literature by BindingDB 10.1021/jm0100537 10.7270/Q2ZW1J42 11384246 aid1796419 Lee, D; Long, SA; Murray, JH; Adams, JL; Nuttall, ME; Nadeau, DP; Kikly, K; Winkler, JD; Sung, CM; Ryan, MD; Levy, MA; Keller, PM; DeWolf, WE GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10315&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9800285 46510942 ZINC03921763 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17120 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@@H]1CNc1ccccc1 InChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)/t14-/m1/s1 UMHSZDAKIVGDNR-CQSZACIVSA-N 10316 (R)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}isatin::5-{[(2R)-2-[(phenylamino)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin Sulfonamide 27 Caspase-7 Homo sapiens 10000 Curated from the literature by BindingDB 10.1021/jm0100537 10.7270/Q2ZW1J42 11384246 aid1796419 Lee, D; Long, SA; Murray, JH; Adams, JL; Nuttall, ME; Nadeau, DP; Kikly, K; Winkler, JD; Sung, CM; Ryan, MD; Levy, MA; Keller, PM; DeWolf, WE GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10316&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9864930 46510943 ZINC01996395 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17121 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C19H18N2O5S/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)/t13-/m0/s1 QKVWMYQCBWNCQH-ZDUSSCGKSA-N 10318 (S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL62993::Isatin Sulfonamide 29::Pyrrolidine Isatin Analogue 10 Caspase-7 Homo sapiens 47 Curated from the literature by BindingDB 10.1021/jm0100537 10.7270/Q2ZW1J42 11384246 aid1796419 Lee, D; Long, SA; Murray, JH; Adams, JL; Nuttall, ME; Nadeau, DP; Kikly, K; Winkler, JD; Sung, CM; Ryan, MD; Levy, MA; Keller, PM; DeWolf, WE GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10318&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9821545 46510945 CHEMBL62993 ZINC13676453 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17122 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1 PKOUAUWPBMZQCH-FQEVSTJZSA-N 10323 (S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::1-benzyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL439753::IST-3::Isatin Sulfonamide 34::JMC522188 Compound 2::Pyrrolidine Isatin Analogue 2 Caspase-7 Homo sapiens 6 Curated from the literature by BindingDB 10.1021/jm0100537 10.7270/Q2ZW1J42 11384246 aid1796419 Lee, D; Long, SA; Murray, JH; Adams, JL; Nuttall, ME; Nadeau, DP; Kikly, K; Winkler, JD; Sung, CM; Ryan, MD; Levy, MA; Keller, PM; DeWolf, WE GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10323&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9847835 46510950 CHEMBL439753 6515 ZINC03940612 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17168 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C19H18N2O5S/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)/t13-/m0/s1 QKVWMYQCBWNCQH-ZDUSSCGKSA-N 10318 (S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL62993::Isatin Sulfonamide 29::Pyrrolidine Isatin Analogue 10 Caspase-7 Homo sapiens 540 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10318&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9821545 46510945 CHEMBL62993 ZINC13676453 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17169 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1 PFAYCUAUBOGVDX-AWEZNQCLSA-N 10320 (S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL293034::IST-2::Isatin Sulfonamide 31::Pyrrolidine Isatin Analogue 11a Caspase-7 Homo sapiens 310 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10320&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search MSI 1GFW 5288850 46510947 CHEMBL293034 DB08213 ZINC03870526 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17170 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1 PKOUAUWPBMZQCH-FQEVSTJZSA-N 10323 (S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::1-benzyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL439753::IST-3::Isatin Sulfonamide 34::JMC522188 Compound 2::Pyrrolidine Isatin Analogue 2 Caspase-7 Homo sapiens 28 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10323&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9847835 46510950 CHEMBL439753 6515 ZINC03940612 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17171 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C27H26N2O6S/c1-34-21-11-9-19(10-12-21)17-28-25-14-13-23(16-24(25)26(30)27(28)31)36(32,33)29-15-5-6-20(29)18-35-22-7-3-2-4-8-22/h2-4,7-14,16,20H,5-6,15,17-18H2,1H3/t20-/m0/s1 RGKPGQYSJPTIFN-FQEVSTJZSA-N 10330 (S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(4-methoxyphenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL200677::Pyrrolidine Isatin Analogue 11b Caspase-7 Homo sapiens 21.8 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10330&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9914167 46510954 CHEMBL200677 ZINC13676455 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17172 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C26H23FN2O5S/c27-19-10-8-18(9-11-19)16-28-24-13-12-22(15-23(24)25(30)26(28)31)35(32,33)29-14-4-5-20(29)17-34-21-6-2-1-3-7-21/h1-3,6-13,15,20H,4-5,14,16-17H2/t20-/m0/s1 BLQICVVKCWCIMT-FQEVSTJZSA-N 10331 (S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(4-fluorophenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL372607::Pyrrolidine Isatin Analogue 11c Caspase-7 Homo sapiens 23.0 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10331&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11576852 46510955 CHEMBL372607 ZINC13676458 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17173 CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C27H26N2O5S2/c1-35-22-11-9-19(10-12-22)17-28-25-14-13-23(16-24(25)26(30)27(28)31)36(32,33)29-15-5-6-20(29)18-34-21-7-3-2-4-8-21/h2-4,7-14,16,20H,5-6,15,17-18H2,1H3/t20-/m0/s1 ZJPAUGHACIPCFI-FQEVSTJZSA-N 10332 (S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Pyrrolidine Isatin Analogue 11d Caspase-7 Homo sapiens 41.0 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10332&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11519268 46510956 ZINC13676460 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17174 CC(=O)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C28H26N2O7S/c1-19(31)37-23-11-9-20(10-12-23)17-29-26-14-13-24(16-25(26)27(32)28(29)33)38(34,35)30-15-5-6-21(30)18-36-22-7-3-2-4-8-22/h2-4,7-14,16,21H,5-6,15,17-18H2,1H3/t21-/m0/s1 BSDZXTVQJICEPK-NRFANRHFSA-N 10333 4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indol-1-yl)methyl]phenyl acetate::Acetic Acid (S)-4-[2,3-Dioxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-2,3-dihydroindol-1-yl-methyl]phenyl Ester::Pyrrolidine Isatin Analogue 11e Caspase-7 Homo sapiens 34.8 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10333&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11512139 46510957 ZINC14947177 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17175 Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C26H24N2O6S/c29-20-10-8-18(9-11-20)16-27-24-13-12-22(15-23(24)25(30)26(27)31)35(32,33)28-14-4-5-19(28)17-34-21-6-2-1-3-7-21/h1-3,6-13,15,19,29H,4-5,14,16-17H2/t19-/m0/s1 KYJSQQPQAAKFQY-IBGZPJMESA-N 10334 (S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(4-hydroxyphenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL200927::Pyrrolidine Isatin Analogue 11f Caspase-7 Homo sapiens 44.0 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10334&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11712912 46510958 CHEMBL200927 ZINC13676462 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17176 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cn1 InChI=1S/C25H22FN3O5S/c26-23-11-8-17(14-27-23)15-28-22-10-9-20(13-21(22)24(30)25(28)31)35(32,33)29-12-4-5-18(29)16-34-19-6-2-1-3-7-19/h1-3,6-11,13-14,18H,4-5,12,15-16H2/t18-/m0/s1 MSJFYYXGZZIVOJ-SFHVURJKSA-N 10335 (S)-1-(6-Fluoropyridin-3-yl-methyl)-5-(2-phenoxymethylpyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(6-fluoropyridin-3-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Pyrrolidine Isatin Analogue 11g Caspase-7 Homo sapiens 14.5 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10335&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11533326 46510959 ZINC13676465 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17177 Fc1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)ccn1 InChI=1S/C25H22FN3O5S/c26-23-13-17(10-11-27-23)15-28-22-9-8-20(14-21(22)24(30)25(28)31)35(32,33)29-12-4-5-18(29)16-34-19-6-2-1-3-7-19/h1-3,6-11,13-14,18H,4-5,12,15-16H2/t18-/m0/s1 YDTJDBMJRVDMKU-SFHVURJKSA-N 10336 (S)-1-(2-Fluoro-pyridin-4-yl-methyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(2-fluoropyridin-4-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Pyrrolidine Isatin Analogue 11h Caspase-7 Homo sapiens 58.0 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10336&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11584106 46510960 ZINC13676467 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17178 Fc1cccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)n1 InChI=1S/C25H22FN3O5S/c26-23-10-4-6-17(27-23)15-28-22-12-11-20(14-21(22)24(30)25(28)31)35(32,33)29-13-5-7-18(29)16-34-19-8-2-1-3-9-19/h1-4,6,8-12,14,18H,5,7,13,15-16H2/t18-/m0/s1 FNURIBXCMKMVRL-SFHVURJKSA-N 10337 (S)-1-(6-Fluoro-pyridin-2-yl-methyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(6-fluoropyridin-2-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Pyrrolidine Isatin Analogue 11i Caspase-7 Homo sapiens 22.2 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10337&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11634649 46510961 ZINC13676470 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17179 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1 UMBVAPCONCILTL-MRHIQRDNSA-N 10246 (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid::Ac-DEVD-CHO::CHEMBL417149 Caspase-7 Homo sapiens 8.5 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10246&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3H1P 644345 46510875 59385 CHEMBL417149 6527 ZINC03928290 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17180 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CC[C@H]1COc1ccccc1 InChI=1S/C18H16N2O5S/c21-17-15-10-14(6-7-16(15)19-18(17)22)26(23,24)20-9-8-12(20)11-25-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,19,21,22)/t12-/m0/s1 WWKKPLWKYQGHBF-LBPRGKRZSA-N 10338 (S)-5-(2-Phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione::5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Azetidine Isatin Analogue 17 Caspase-7 Homo sapiens 1350 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10338&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11624920 46510962 ZINC13676473 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17181 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 InChI=1S/C19H18N2O5S/c1-20-17-8-7-15(11-16(17)18(22)19(20)23)27(24,25)21-10-9-13(21)12-26-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/t13-/m0/s1 FATMLWUGEBQNST-ZDUSSCGKSA-N 10339 (S)-1-Methyl-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione::1-methyl-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Azetidine Isatin Analogue 18a Caspase-7 Homo sapiens 362.5 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10339&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11509289 46510963 ZINC13676475 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17182 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CC[C@H]1COc1ccccc1 InChI=1S/C25H22N2O5S/c28-24-22-15-21(11-12-23(22)26(25(24)29)16-18-7-3-1-4-8-18)33(30,31)27-14-13-19(27)17-32-20-9-5-2-6-10-20/h1-12,15,19H,13-14,16-17H2/t19-/m0/s1 JRPNHUJRYWPJMH-IBGZPJMESA-N 10340 (S)-1-Benzyl-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione::1-benzyl-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Azetidine Isatin Analogue 18b Caspase-7 Homo sapiens 29.5 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10340&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11496333 46510964 ZINC13676477 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17183 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 InChI=1S/C26H24N2O6S/c1-33-20-9-7-18(8-10-20)16-27-24-12-11-22(15-23(24)25(29)26(27)30)35(31,32)28-14-13-19(28)17-34-21-5-3-2-4-6-21/h2-12,15,19H,13-14,16-17H2,1H3/t19-/m0/s1 LPQXQLRRATZAID-IBGZPJMESA-N 10341 (S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(4-methoxyphenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Azetidine Isatin Analogue 18c Caspase-7 Homo sapiens 23.2 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10341&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11684618 46510965 ZINC13676479 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17184 CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 InChI=1S/C26H24N2O5S2/c1-34-21-9-7-18(8-10-21)16-27-24-12-11-22(15-23(24)25(29)26(27)30)35(31,32)28-14-13-19(28)17-33-20-5-3-2-4-6-20/h2-12,15,19H,13-14,16-17H2,1H3/t19-/m0/s1 IEGXKLYPPWABDL-IBGZPJMESA-N 10342 (S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione::1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Azetidine Isatin Analogue 18d Caspase-7 Homo sapiens 26.7 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10342&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11497112 46510966 ZINC13676481 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17185 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 InChI=1S/C25H21FN2O5S/c26-18-8-6-17(7-9-18)15-27-23-11-10-21(14-22(23)24(29)25(27)30)34(31,32)28-13-12-19(28)16-33-20-4-2-1-3-5-20/h1-11,14,19H,12-13,15-16H2/t19-/m0/s1 QCKJEQIYOITZDI-IBGZPJMESA-N 10343 (S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(4-fluorophenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Azetidine Isatin Analogue 18e Caspase-7 Homo sapiens 21.0 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10343&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11583840 46510967 ZINC13676483 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17186 Fc1ccccc1CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 InChI=1S/C25H21FN2O5S/c26-22-9-5-4-6-17(22)15-27-23-11-10-20(14-21(23)24(29)25(27)30)34(31,32)28-13-12-18(28)16-33-19-7-2-1-3-8-19/h1-11,14,18H,12-13,15-16H2/t18-/m0/s1 GCQVILHNVZSRTL-SFHVURJKSA-N 10344 (S)-1-(2-Fluorobenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(2-fluorophenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Azetidine Isatin Analogue 18f Caspase-7 Homo sapiens 26.0 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10344&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11634372 46510968 ZINC13676486 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17187 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cn1 InChI=1S/C24H20FN3O5S/c25-22-9-6-16(13-26-22)14-27-21-8-7-19(12-20(21)23(29)24(27)30)34(31,32)28-11-10-17(28)15-33-18-4-2-1-3-5-18/h1-9,12-13,17H,10-11,14-15H2/t17-/m0/s1 UITSDZFHHJSHNP-KRWDZBQOSA-N 10345 (S)-1-(6-Fluoropyridin-3-ylmethyl)-5-(2-phenoxymethyl-azetidine1-sulfonyl)-1H-indole-2,3-dione::1-[(6-fluoropyridin-3-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Azetidine Isatin Analogue 18g Caspase-7 Homo sapiens 17.0 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10345&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11619968 46510969 ZINC13676488 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17188 Fc1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)ccn1 InChI=1S/C24H20FN3O5S/c25-22-12-16(8-10-26-22)14-27-21-7-6-19(13-20(21)23(29)24(27)30)34(31,32)28-11-9-17(28)15-33-18-4-2-1-3-5-18/h1-8,10,12-13,17H,9,11,14-15H2/t17-/m0/s1 RYWKNTKVPRMYNJ-KRWDZBQOSA-N 10346 (S)-1-(2-Fluoropyridin-4-yl-methyl)-5-(2-phenoxymethyl-azetidine1-sulfonyl)-1H-indole-2,3-dione::1-[(2-fluoropyridin-4-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Azetidine Isatin Analogue 18h Caspase-7 Homo sapiens 135.0 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10346&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11576622 46510970 ZINC13676490 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17189 Fc1cccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)n1 InChI=1S/C24H20FN3O5S/c25-22-8-4-5-16(26-22)14-27-21-10-9-19(13-20(21)23(29)24(27)30)34(31,32)28-12-11-17(28)15-33-18-6-2-1-3-7-18/h1-10,13,17H,11-12,14-15H2/t17-/m0/s1 CHBXPPLGXKEWKQ-KRWDZBQOSA-N 10347 (S)-1-(6-Fluoropyridin-2-yl-methyl)-5-(2-phenoxymethyl-azetidine--1-sulfonyl)-1H-indole-2,3-dione::1-[(6-fluoropyridin-2-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Azetidine Isatin Analogue 18i Caspase-7 Homo sapiens 22.7 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10347&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11525874 46510971 ZINC13676492 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17190 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 InChI=1S/C18H17N3O5S/c22-17-15-9-14(5-6-16(15)20-18(17)23)27(24,25)21-8-2-3-12(21)11-26-13-4-1-7-19-10-13/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22,23)/t12-/m0/s1 ZQDAIIUFJKGWON-LBPRGKRZSA-N 10348 5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::IST-1::Pyridine Analogue 20 Caspase-7 Homo sapiens 214.9 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10348&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11509300 46510972 ZINC13676494 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17191 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 InChI=1S/C19H19N3O5S/c1-21-17-7-6-15(10-16(17)18(23)19(21)24)28(25,26)22-9-3-4-13(22)12-27-14-5-2-8-20-11-14/h2,5-8,10-11,13H,3-4,9,12H2,1H3/t13-/m0/s1 HLQVEUCDTUXVLS-ZDUSSCGKSA-N 10349 1-Methyl-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)--1H-indole-2,3-dione::1-methyl-5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Pyridine Analogue 21a Caspase-7 Homo sapiens 94.9 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10349&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11647018 46510973 ZINC13676496 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17192 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 InChI=1S/C25H23N3O5S/c29-24-22-14-21(10-11-23(22)27(25(24)30)16-18-6-2-1-3-7-18)34(31,32)28-13-5-8-19(28)17-33-20-9-4-12-26-15-20/h1-4,6-7,9-12,14-15,19H,5,8,13,16-17H2/t19-/m0/s1 PCWDXECMTMSSCD-IBGZPJMESA-N 10350 1-Benzyl-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-benzyl-5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Pyridine Analogue 21b Caspase-7 Homo sapiens 14.1 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10350&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11576540 46510974 ZINC13676498 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17193 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 InChI=1S/C26H25N3O6S/c1-34-20-8-6-18(7-9-20)16-28-24-11-10-22(14-23(24)25(30)26(28)31)36(32,33)29-13-3-4-19(29)17-35-21-5-2-12-27-15-21/h2,5-12,14-15,19H,3-4,13,16-17H2,1H3/t19-/m0/s1 XDHJBIYJRNFDKS-IBGZPJMESA-N 10351 1-(4-Methoxybenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-pyrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(4-methoxyphenyl)methyl]-5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Pyridine Analogue 21c Caspase-7 Homo sapiens 15.1 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10351&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11591540 46510975 ZINC13676501 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17194 CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 InChI=1S/C26H25N3O5S2/c1-35-21-8-6-18(7-9-21)16-28-24-11-10-22(14-23(24)25(30)26(28)31)36(32,33)29-13-3-4-19(29)17-34-20-5-2-12-27-15-20/h2,5-12,14-15,19H,3-4,13,16-17H2,1H3/t19-/m0/s1 IZQMNYSMAWSYDA-IBGZPJMESA-N 10352 1-(4-Methylthiobenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Pyridine Analogue 21d Caspase-7 Homo sapiens 23.3 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10352&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11670894 46510976 ZINC13676504 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17195 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 InChI=1S/C25H22FN3O5S/c26-18-7-5-17(6-8-18)15-28-23-10-9-21(13-22(23)24(30)25(28)31)35(32,33)29-12-2-3-19(29)16-34-20-4-1-11-27-14-20/h1,4-11,13-14,19H,2-3,12,15-16H2/t19-/m0/s1 IFZWBMQGMKRQEH-IBGZPJMESA-N 10353 1-(4-Fluorobenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(4-fluorophenyl)methyl]-5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Pyridine Analogue 21e Caspase-7 Homo sapiens 15.1 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10353&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11705942 46510977 ZINC13676506 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17196 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccncc1 InChI=1S/C18H17N3O5S/c22-17-15-10-14(3-4-16(15)20-18(17)23)27(24,25)21-9-1-2-12(21)11-26-13-5-7-19-8-6-13/h3-8,10,12H,1-2,9,11H2,(H,20,22,23)/t12-/m0/s1 QKPDRLZDNXVLDS-LBPRGKRZSA-N 10354 5-(2-(Pyridin-4-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::5-{[(2S)-2-[(pyridin-4-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::Pyridine Analogue 23 Caspase-7 Homo sapiens 142.3 Curated from the literature by BindingDB 10.1021/jm0506625 10.7270/Q2V40SDN 16302804 aid1796431 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10354&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11509301 46509317 ZINC13676509 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17598 COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C26H31BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20,25H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,25-/m0/s1 VGTVMULINBNZTO-CPJSRVTESA-N 10527 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::BROMOMETHOXYPHENYL INHIBITOR::valine aspartyl ketone 29::valine aspartyl ketone 6::valine aspartyl ketone analog 10 Caspase-7 Homo sapiens 284 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10527&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645230 46511135 ZINC14947273 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17599 COc1ccc(Br)cc1[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C27H33BrN2O6S/c1-16(2)25(30-26(34)17(3)20-12-19(28)10-11-23(20)36-4)27(35)29-21(13-24(32)33)22(31)15-37-14-18-8-6-5-7-9-18/h5-12,16-17,21,25H,13-15H2,1-4H3,(H,29,35)(H,30,34)(H,32,33)/t17-,21-,25-/m0/s1 FCGZMASXHZATJF-ADSMNUKGSA-N 10528 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)propanamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 7 Caspase-7 Homo sapiens 3690 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10528&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645231 46511136 ZINC14947274 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17600 CCC[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)c1cc(Br)ccc1OC InChI=1S/C29H37BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h6-8,10-14,18,21,23,27H,5,9,15-17H2,1-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23-,27-/m0/s1 IDLVJTHDMSCUEV-MYIHVTGJSA-N 10529 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)pentanamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 8 Caspase-7 Homo sapiens 5300 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10529&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645232 46511137 ZINC14947275 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17601 COc1ccc(Br)cc1[C@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C33H37BrN2O6S/c1-21(2)31(33(41)35-27(18-30(38)39)28(37)20-43-19-23-12-8-5-9-13-23)36-32(40)26(16-22-10-6-4-7-11-22)25-17-24(34)14-15-29(25)42-3/h4-15,17,21,26-27,31H,16,18-20H2,1-3H3,(H,35,41)(H,36,40)(H,38,39)/t26-,27-,31-/m0/s1 CDRQBRTVVRGMIK-HEWUYBSCSA-N 10530 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)-3-phenylpropanamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 9 Caspase-7 Homo sapiens 4200 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10530&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645233 46511138 ZINC96210328 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17602 COc1ccc(Br)cc1[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C29H37BrN2O6S/c1-17(2)26(21-13-20(30)11-12-24(21)38-5)28(36)32-27(18(3)4)29(37)31-22(14-25(34)35)23(33)16-39-15-19-9-7-6-8-10-19/h6-13,17-18,22,26-27H,14-16H2,1-5H3,(H,31,37)(H,32,36)(H,34,35)/t22-,26-,27-/m0/s1 FMVVULCHYLACOQ-CAVYSCNFSA-N 10531 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)-3-methylbutanamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 10 Caspase-7 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10531&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645234 46511139 ZINC14947276 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17603 COc1ccc(Br)cc1C1(CC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C28H33BrN2O6S/c1-17(2)25(31-27(36)28(11-12-28)20-13-19(29)9-10-23(20)37-3)26(35)30-21(14-24(33)34)22(32)16-38-15-18-7-5-4-6-8-18/h4-10,13,17,21,25H,11-12,14-16H2,1-3H3,(H,30,35)(H,31,36)(H,33,34)/t21-,25-/m0/s1 OTONJXZEUNRLDY-OFVILXPXSA-N 10532 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-{[1-(5-bromo-2-methoxyphenyl)cyclopropyl]formamido}-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 11 Caspase-7 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10532&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645235 46511140 ZINC14947277 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17604 COc1ccc(Br)cc1[C@H](CC=C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C29H35BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h5-8,10-14,18,21,23,27H,1,9,15-17H2,2-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23-,27-/m0/s1 XGWZYQWSQQWRDR-MYIHVTGJSA-N 10533 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)pent-4-enamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 12 Caspase-7 Homo sapiens 2215 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10533&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645236 46511141 ZINC14947278 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17605 COc1ccc(Br)cc1[C@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C29H33BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h1,6-8,10-14,18,21,23,27H,9,15-17H2,2-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23-,27-/m0/s1 WCKOPJZBWUAFCU-MYIHVTGJSA-N 10534 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo-2-methoxyphenyl)pent-4-ynamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 13 Caspase-7 Homo sapiens 3625 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10534&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645237 46511142 ZINC14947279 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17606 COc1ccc(Br)cc1[C@@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C29H33BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h1,6-8,10-14,18,21,23,27H,9,15-17H2,2-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23+,27+/m1/s1 WCKOPJZBWUAFCU-ZYVVXELTSA-N 10535 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-(5-bromo-2-methoxyphenyl)pent-4-ynamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 14 Caspase-7 Homo sapiens 139 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10535&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645238 46511143 ZINC14947280 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17607 CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C25H30N2O5S/c1-17(2)24(27-22(29)13-18-9-5-3-6-10-18)25(32)26-20(14-23(30)31)21(28)16-33-15-19-11-7-4-8-12-19/h3-12,17,20,24H,13-16H2,1-2H3,(H,26,32)(H,27,29)(H,30,31)/t20-,24-/m0/s1 WKXYWPGXIYWMSC-RDPSFJRHSA-N 10536 (3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phenylacetamido)butanamido]-4-oxopentanoic acid::valine aspartyl ketone 15::valine aspartyl ketone analog 9 Caspase-7 Homo sapiens 8360 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10536&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645239 46511144 ZINC13589580 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17608 CC(C)[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C25H30N2O6S/c1-16(2)22(27-25(33)23(31)18-11-7-4-8-12-18)24(32)26-19(13-21(29)30)20(28)15-34-14-17-9-5-3-6-10-17/h3-12,16,19,22-23,31H,13-15H2,1-2H3,(H,26,32)(H,27,33)(H,29,30)/t19-,22-,23+/m0/s1 WSQQNURYWZYILE-AJSBUHFISA-N 10537 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-hydroxy-2-phenylacetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 16 Caspase-7 Homo sapiens 1050 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10537&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645240 46511145 ZINC14947281 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17609 CC(C)[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C25H30N2O6S/c1-16(2)22(27-25(33)23(31)18-11-7-4-8-12-18)24(32)26-19(13-21(29)30)20(28)15-34-14-17-9-5-3-6-10-17/h3-12,16,19,22-23,31H,13-15H2,1-2H3,(H,26,32)(H,27,33)(H,29,30)/t19-,22-,23-/m0/s1 WSQQNURYWZYILE-VJBMBRPKSA-N 10538 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-2-phenylacetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 17 Caspase-7 Homo sapiens 10860 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10538&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645241 46511146 ZINC14947282 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17610 CC(C)[C@@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C22H32N2O6S/c1-13(2)19(24-22(30)20(28)14(3)4)21(29)23-16(10-18(26)27)17(25)12-31-11-15-8-6-5-7-9-15/h5-9,13-14,16,19-20,28H,10-12H2,1-4H3,(H,23,29)(H,24,30)(H,26,27)/t16-,19-,20+/m0/s1 UOXUEVOSPBMSDB-FFZOFVMBSA-N 10539 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-hydroxy-3-methylbutanamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 18 Caspase-7 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10539&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645242 46511147 ZINC14947283 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17611 CC(C)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C22H32N2O6S/c1-13(2)19(24-22(30)20(28)14(3)4)21(29)23-16(10-18(26)27)17(25)12-31-11-15-8-6-5-7-9-15/h5-9,13-14,16,19-20,28H,10-12H2,1-4H3,(H,23,29)(H,24,30)(H,26,27)/t16-,19-,20-/m0/s1 UOXUEVOSPBMSDB-VDGAXYAQSA-N 10540 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-3-methylbutanamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 19 Caspase-7 Homo sapiens 3405 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10540&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645243 46511148 ZINC14947284 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17612 CO[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)c1ccccc1 InChI=1S/C26H32N2O6S/c1-17(2)23(28-26(33)24(34-3)19-12-8-5-9-13-19)25(32)27-20(14-22(30)31)21(29)16-35-15-18-10-6-4-7-11-18/h4-13,17,20,23-24H,14-16H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)/t20-,23-,24-/m0/s1 QAKCFPZTYCECLG-OYDLWJJNSA-N 10541 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-methoxy-2-phenylacetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 20 Caspase-7 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10541&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645244 46511149 ZINC14947285 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17613 CC(C)[C@H](NC(=O)C(C)(O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C26H32N2O6S/c1-17(2)23(28-25(33)26(3,34)19-12-8-5-9-13-19)24(32)27-20(14-22(30)31)21(29)16-35-15-18-10-6-4-7-11-18/h4-13,17,20,23,34H,14-16H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)/t20-,23-,26?/m0/s1 QCUIUJLDIUKBOL-YHBFXGCJSA-N 10542 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-phenylpropanamido)-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 21 Caspase-7 Homo sapiens 2760 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10542&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645245 46511150 ZINC14947287 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17614 CC(C)[C@H](NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C31H34N2O6S/c1-21(2)28(33-30(38)31(39,23-14-8-4-9-15-23)24-16-10-5-11-17-24)29(37)32-25(18-27(35)36)26(34)20-40-19-22-12-6-3-7-13-22/h3-17,21,25,28,39H,18-20H2,1-2H3,(H,32,37)(H,33,38)(H,35,36)/t25-,28-/m0/s1 NIPMRQKBSDRVPG-LSYYVWMOSA-N 10543 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2,2-diphenylacetamido)-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 22 Caspase-7 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10543&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645246 46511151 ZINC14947288 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17615 CCC(O)(CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C23H34N2O6S/c1-5-23(31,6-2)22(30)25-20(15(3)4)21(29)24-17(12-19(27)28)18(26)14-32-13-16-10-8-7-9-11-16/h7-11,15,17,20,31H,5-6,12-14H2,1-4H3,(H,24,29)(H,25,30)(H,27,28)/t17-,20-/m0/s1 NPPMWBNLEVQVOR-PXNSSMCTSA-N 10544 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-ethyl-2-hydroxybutanamido)-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 23 Caspase-7 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10544&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645247 46511152 ZINC14947289 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17616 CC(C)[C@H](NC(=O)C1(O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C21H28N2O6S/c1-13(2)18(23-20(28)21(29)8-9-21)19(27)22-15(10-17(25)26)16(24)12-30-11-14-6-4-3-5-7-14/h3-7,13,15,18,29H,8-12H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)/t15-,18-/m0/s1 NQTVJXXFQHKABQ-YJBOKZPZSA-N 10546 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(1-hydroxycyclopropyl)formamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 25 Caspase-7 Homo sapiens 5095 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10546&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645249 46511154 ZINC14947291 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17617 CC(C)[C@H](NC(=O)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C21H24F6N2O6S/c1-11(2)16(29-18(34)19(35,20(22,23)24)21(25,26)27)17(33)28-13(8-15(31)32)14(30)10-36-9-12-6-4-3-5-7-12/h3-7,11,13,16,35H,8-10H2,1-2H3,(H,28,33)(H,29,34)(H,31,32)/t13-,16-/m0/s1 MRRFYSGODXBRSE-BBRMVZONSA-N 10547 (3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamido]butanamido]-4-oxopentanoic acid::valine aspartyl ketone 26 Caspase-7 Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10547&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645250 46511155 ZINC14947292 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17618 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2)c1 InChI=1S/C27H34N2O7S/c1-17(2)26(29-24(31)13-19-12-20(35-3)10-11-23(19)36-4)27(34)28-21(14-25(32)33)22(30)16-37-15-18-8-6-5-7-9-18/h5-12,17,21,26H,13-16H2,1-4H3,(H,28,34)(H,29,31)(H,32,33)/t21-,26-/m0/s1 LZUSNJFQIBHZRE-LVXARBLLSA-N 10548 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(2,5-dimethoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 27::valine aspartyl ketone analog 1 Caspase-7 Homo sapiens 3240 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10548&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9807028 46511156 ZINC03993750 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17619 COc1ccc(OC)c(c1)C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C27H34N2O8S/c1-16(2)24(29-27(35)25(33)19-12-18(36-3)10-11-22(19)37-4)26(34)28-20(13-23(31)32)21(30)15-38-14-17-8-6-5-7-9-17/h5-12,16,20,24-25,33H,13-15H2,1-4H3,(H,28,34)(H,29,35)(H,31,32)/t20-,24-,25?/m0/s1 HWKXAKRQXXUBFD-RRDJUMLSSA-N 10549 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyacetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 28 Caspase-7 Homo sapiens 545 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10549&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645251 46511157 ZINC14947294 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17620 COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C26H31BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20,25H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,25-/m0/s1 VGTVMULINBNZTO-CPJSRVTESA-N 10527 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::BROMOMETHOXYPHENYL INHIBITOR::valine aspartyl ketone 29::valine aspartyl ketone 6::valine aspartyl ketone analog 10 Caspase-7 Homo sapiens 285 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10527&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645230 46511135 ZINC14947273 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17621 COc1ccc(Br)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C26H31BrN2O7S/c1-15(2)23(29-26(35)24(33)18-11-17(27)9-10-21(18)36-3)25(34)28-19(12-22(31)32)20(30)14-37-13-16-7-5-4-6-8-16/h4-11,15,19,23-24,33H,12-14H2,1-3H3,(H,28,34)(H,29,35)(H,31,32)/t19-,23-,24?/m0/s1 NKBSCZIQSOVWKJ-OSAZCDQKSA-N 10551 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-bromo-2-methoxyphenyl)-2-hydroxyacetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 30 Caspase-7 Homo sapiens 91 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10551&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645252 46511158 ZINC14947296 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17622 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O InChI=1S/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/m0/s1 RBCPNDRFXKBOQT-CUNXSJBXSA-N 10552 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 31::valine aspartyl ketone analog 15 Caspase-7 Homo sapiens 555 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10552&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645253 46511159 ZINC14947297 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17623 COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O InChI=1S/C28H34N2O8S/c1-16(2)25(30-28(37)26(35)20-12-19(17(3)31)10-11-23(20)38-4)27(36)29-21(13-24(33)34)22(32)15-39-14-18-8-6-5-7-9-18/h5-12,16,21,25-26,35H,13-15H2,1-4H3,(H,29,36)(H,30,37)(H,33,34)/t21-,25-,26?/m0/s1 MEOSEAYZHVITJF-FYIZHPKFSA-N 10553 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-acetyl-2-methoxyphenyl)-2-hydroxyacetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 32 Caspase-7 Homo sapiens 290 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10553&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645254 46511160 ZINC14947299 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17624 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 InChI=1S/C29H34N4O7S/c1-17(2)27(28(38)31-22(14-26(36)37)23(34)16-41-15-19-8-6-5-7-9-19)32-25(35)13-21-12-20(10-11-24(21)39-4)29-30-18(3)33-40-29/h5-12,17,22,27H,13-16H2,1-4H3,(H,31,38)(H,32,35)(H,36,37)/t22-,27-/m0/s1 COLCPJSXGNKCEG-CUNXSJBXSA-N 10554 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-{1-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamido}-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 33 Caspase-7 Homo sapiens 97 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10554&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9851279 46511161 ZINC14947300 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17625 COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 InChI=1S/C29H34N4O8S/c1-16(2)25(27(38)31-21(13-24(35)36)22(34)15-42-14-18-8-6-5-7-9-18)32-28(39)26(37)20-12-19(10-11-23(20)40-4)29-30-17(3)33-41-29/h5-12,16,21,25-26,37H,13-15H2,1-4H3,(H,31,38)(H,32,39)(H,35,36)/t21-,25-,26?/m0/s1 STDJONDOUCKJSO-FYIZHPKFSA-N 10555 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-{2-hydroxy-2-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamido}-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 34 Caspase-7 Homo sapiens 63 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10555&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645255 46511162 ZINC14947302 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17626 COc1ccc(I)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C26H31IN2O7S/c1-15(2)23(29-26(35)24(33)18-11-17(27)9-10-21(18)36-3)25(34)28-19(12-22(31)32)20(30)14-37-13-16-7-5-4-6-8-16/h4-11,15,19,23-24,33H,12-14H2,1-3H3,(H,28,34)(H,29,35)(H,31,32)/t19-,23-,24?/m0/s1 LPQLYZKOKVZVSN-OSAZCDQKSA-N 10556 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-hydroxy-2-(5-iodo-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 35 Caspase-7 Homo sapiens 135 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10556&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11570986 46511163 ZINC96210330 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 17627 CC(C)[C@H](NC(=O)C(C)(C)O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 InChI=1S/C21H30N2O6S/c1-13(2)18(23-20(28)21(3,4)29)19(27)22-15(10-17(25)26)16(24)12-30-11-14-8-6-5-7-9-14/h5-9,13,15,18,29H,10-12H2,1-4H3,(H,22,27)(H,23,28)(H,25,26)/t15-,18-/m0/s1 NFIKFLKFPBETBR-YJBOKZPZSA-N 10545 (3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-methylpropanamido)-3-methylbutanamido]-4-oxopentanoic acid::valine aspartyl ketone 24 Caspase-7 Homo sapiens 10860 Curated from the literature by BindingDB 10.1016/j.bmcl.2005.05.116 10.7270/Q2959FS7 16023344 aid1796465 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Merck Frosst Canada & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10545&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 23645248 46511153 ZINC14947290 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53931 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1 InChI=1S/C12H12N2O5S/c15-11-9-7-8(1-2-10(9)13-12(11)16)20(17,18)14-3-5-19-6-4-14/h1-2,7H,3-6H2,(H,13,15,16) AKGSTTAKYFDPMP-UHFFFAOYSA-N 29569 acs.jmedchem.1c00409_ST.540::isatin sulfonamide, 6 Caspase-7 Homo sapiens >20000 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29569&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 8027611 81054998 ZINC06658375 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53932 Clc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1Cl InChI=1S/C19H16Cl2N2O5S/c20-15-3-1-12(9-16(15)21)11-23-17-4-2-13(10-14(17)18(24)19(23)25)29(26,27)22-5-7-28-8-6-22/h1-4,9-10H,5-8,11H2 HXVBMQXTZCPQKT-UHFFFAOYSA-N 29570 isatin sulfonamide, 9c Caspase-7 Homo sapiens 2233 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29570&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618276 81054999 ZINC40937554 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53933 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCSCC1 InChI=1S/C19H18N2O4S2/c22-18-16-12-15(27(24,25)20-8-10-26-11-9-20)6-7-17(16)21(19(18)23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2 VIDUBXGYLLMUAS-UHFFFAOYSA-N 29571 isatin sulfonamide, 10a Caspase-7 Homo sapiens 1483 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29571&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618277 81055000 ZINC40414015 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53934 O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCCCC1 InChI=1S/C23H20N4O3S/c24-14-18(15-25)22-20-13-19(31(29,30)26-11-5-2-6-12-26)9-10-21(20)27(23(22)28)16-17-7-3-1-4-8-17/h1,3-4,7-10,13H,2,5-6,11-12,16H2 FTSDXUXHHBRVGQ-UHFFFAOYSA-N 29572 isatin Michael acceptor (IMA) analogue, 11a Caspase-7 Homo sapiens 878 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29572&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618278 81055001 ZINC40943700 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53935 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCCCC2)cc1 InChI=1S/C24H22N4O4S/c1-32-19-7-5-17(6-8-19)16-28-22-10-9-20(33(30,31)27-11-3-2-4-12-27)13-21(22)23(24(28)29)18(14-25)15-26/h5-10,13H,2-4,11-12,16H2,1H3 QIDCJSGPFYWCQP-UHFFFAOYSA-N 29573 isatin Michael acceptor (IMA) analogue, 11b Caspase-7 Homo sapiens 1147 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29573&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618279 81055002 ZINC40423003 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53936 Clc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCCCC2)cc1Cl InChI=1S/C23H18Cl2N4O3S/c24-19-6-4-15(10-20(19)25)14-29-21-7-5-17(33(31,32)28-8-2-1-3-9-28)11-18(21)22(23(29)30)16(12-26)13-27/h4-7,10-11H,1-3,8-9,14H2 VZUXVMWAIPURDL-UHFFFAOYSA-N 29574 isatin Michael acceptor (IMA) analogue, 11c Caspase-7 Homo sapiens 3416 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29574&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618280 81055003 ZINC45506622 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53937 O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCOCC1 InChI=1S/C22H18N4O4S/c23-13-17(14-24)21-19-12-18(31(28,29)25-8-10-30-11-9-25)6-7-20(19)26(22(21)27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,15H2 SVXIMJZTXHKICO-UHFFFAOYSA-N 29575 isatin Michael acceptor (IMA) analogue, 12a Caspase-7 Homo sapiens 4467 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29575&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618281 81055004 ZINC40422396 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53938 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1 InChI=1S/C23H20N4O5S/c1-31-18-4-2-16(3-5-18)15-27-21-7-6-19(33(29,30)26-8-10-32-11-9-26)12-20(21)22(23(27)28)17(13-24)14-25/h2-7,12H,8-11,15H2,1H3 XIKRWCLJHIQAON-UHFFFAOYSA-N 29576 isatin Michael acceptor (IMA) analogue, 12b Caspase-7 Homo sapiens 4100 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29576&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618282 81055005 ZINC45506625 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53939 Clc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1Cl InChI=1S/C22H16Cl2N4O4S/c23-18-3-1-14(9-19(18)24)13-28-20-4-2-16(33(30,31)27-5-7-32-8-6-27)10-17(20)21(22(28)29)15(11-25)12-26/h1-4,9-10H,5-8,13H2 NBSRPTXQPPSWRJ-UHFFFAOYSA-N 29577 isatin Michael acceptor (IMA) analogue, 12c Caspase-7 Homo sapiens 7900 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29577&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618283 81055006 ZINC40949408 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53940 O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCSCC1 InChI=1S/C22H18N4O3S2/c23-13-17(14-24)21-19-12-18(31(28,29)25-8-10-30-11-9-25)6-7-20(19)26(22(21)27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,15H2 LKNKAHRGVFTHNV-UHFFFAOYSA-N 29578 isatin Michael acceptor (IMA) analogue, 13a Caspase-7 Homo sapiens 1625 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29578&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618284 81055007 ZINC40423296 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53941 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCSCC2)cc1 InChI=1S/C23H20N4O4S2/c1-31-18-4-2-16(3-5-18)15-27-21-7-6-19(33(29,30)26-8-10-32-11-9-26)12-20(21)22(23(27)28)17(13-24)14-25/h2-7,12H,8-11,15H2,1H3 YEEKKDMABQLVBJ-UHFFFAOYSA-N 29579 isatin Michael acceptor (IMA) analogue, 13b Caspase-7 Homo sapiens 1893 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29579&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618285 81055008 ZINC40423157 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53942 Clc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCSCC2)cc1Cl InChI=1S/C22H16Cl2N4O3S2/c23-18-3-1-14(9-19(18)24)13-28-20-4-2-16(33(30,31)27-5-7-32-8-6-27)10-17(20)21(22(28)29)15(11-25)12-26/h1-4,9-10H,5-8,13H2 GZBVFIQIGWWVQS-UHFFFAOYSA-N 29580 isatin Michael acceptor (IMA) analogue, 13c Caspase-7 Homo sapiens 5100 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29580&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618286 81055009 ZINC49878620 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53943 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC1 InChI=1S/C18H16N2O4S/c21-17-15-11-14(25(23,24)19-9-4-10-19)7-8-16(15)20(18(17)22)12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2 HPLZVLGCPPHPFD-UHFFFAOYSA-N 29581 isatin sulfonamide, 16a Caspase-7 Homo sapiens 132 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29581&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618287 81055010 ZINC40918265 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53944 O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCC1 InChI=1S/C21H16N4O3S/c22-12-16(13-23)20-18-11-17(29(27,28)24-9-4-10-24)7-8-19(18)25(21(20)26)14-15-5-2-1-3-6-15/h1-3,5-8,11H,4,9-10,14H2 ZPKCBEFUDFBHGK-UHFFFAOYSA-N 29582 isatin Michael acceptor (IMA) analogue, 18a Caspase-7 Homo sapiens 248 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29582&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618288 81055011 ZINC40405035 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53945 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCC2)cc1 InChI=1S/C22H18N4O4S/c1-30-17-5-3-15(4-6-17)14-26-20-8-7-18(31(28,29)25-9-2-10-25)11-19(20)21(22(26)27)16(12-23)13-24/h3-8,11H,2,9-10,14H2,1H3 FBRPJIVSTMGXJF-UHFFFAOYSA-N 29583 isatin Michael acceptor (IMA) analogue, 18b Caspase-7 Homo sapiens 471 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29583&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618289 81055012 ZINC40918266 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53946 Clc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCC2)cc1Cl InChI=1S/C21H14Cl2N4O3S/c22-17-4-2-13(8-18(17)23)12-27-19-5-3-15(31(29,30)26-6-1-7-26)9-16(19)20(21(27)28)14(10-24)11-25/h2-5,8-9H,1,6-7,12H2 RAEYMJUJEXDUSW-UHFFFAOYSA-N 29584 isatin Michael acceptor (IMA) analogue, 18c Caspase-7 Homo sapiens 340 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29584&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618290 81055013 ZINC40835217 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53947 O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCCC1 InChI=1S/C22H18N4O3S/c23-13-17(14-24)21-19-12-18(30(28,29)25-10-4-5-11-25)8-9-20(19)26(22(21)27)15-16-6-2-1-3-7-16/h1-3,6-9,12H,4-5,10-11,15H2 COMPSSLDEBYAIL-UHFFFAOYSA-N 29585 isatin Michael acceptor (IMA) analogue, 19a Caspase-7 Homo sapiens 587 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29585&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618291 81055014 ZINC40916039 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53948 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCCC2)cc1 InChI=1S/C23H20N4O4S/c1-31-18-6-4-16(5-7-18)15-27-21-9-8-19(32(29,30)26-10-2-3-11-26)12-20(21)22(23(27)28)17(13-24)14-25/h4-9,12H,2-3,10-11,15H2,1H3 NTYVQLJOENRPJL-UHFFFAOYSA-N 29586 isatin Michael acceptor (IMA) analogue, 19b Caspase-7 Homo sapiens 443 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29586&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618292 81055015 ZINC40916403 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53949 Clc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCCC2)cc1Cl InChI=1S/C22H16Cl2N4O3S/c23-18-5-3-14(9-19(18)24)13-28-20-6-4-16(32(30,31)27-7-1-2-8-27)10-17(20)21(22(28)29)15(11-25)12-26/h3-6,9-10H,1-2,7-8,13H2 YMJGKYJHZYOMPL-UHFFFAOYSA-N 29587 isatin Michael acceptor (IMA) analogue, 19c Caspase-7 Homo sapiens 471 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29587&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 42618293 81055016 ZINC40918089 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 53950 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1 UMBVAPCONCILTL-MRHIQRDNSA-N 10246 (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid::Ac-DEVD-CHO::CHEMBL417149 Caspase-7 Homo sapiens 2.95 Curated from the literature by BindingDB 10.1021/jm900135r 10.7270/Q2B856G4 19326941 aid1799017 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10246&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3H1P 644345 46510875 59385 CHEMBL417149 6527 ZINC03928290 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 64030 Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+ YQNRVGJCPCNMKT-LFVJCYFKSA-N 36363 CID6851947::PAC-1::US10166229, Example PAC-1 Caspase-7 Homo sapiens 4.5e+3 7.4 37.00 C Curated from the literature by BindingDB 10.1038/nchembio814 10.7270/Q25M6426 16936720 aid1799388 Putt, KS; Chen, GW; Pearson, JM; Sandhorst, JS; Hoagland, MS; Kwon, JT; Hwang, SK; Jin, H; Churchwell, MI; Cho, MH; Doerge, DR; Helferich, WG; Hergenrother, PJ University of Illinois http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36363&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 6851947 117643949 ZINC22916765 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143188 CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25) TYNLGDBUJLVSMA-UHFFFAOYSA-N 32018 1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE::4,5-diacetoxy-9,10-diketo-anthracene-2-carboxylic acid::4,5-diacetyloxy-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid::4,5-diacetyloxy-9,10-dioxo-2-anthracenecarboxylic acid::4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid::MLS000028577::SMR000058958::cid_26248::diacetylrhein Caspase-7 Homo sapiens 14802 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32018&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 26248 252615477 ZINC03812842 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143189 CCCCOn1c(C)c(C(=O)OCC)c2c1ccc1nonc21 InChI=1S/C16H19N3O4/c1-4-6-9-22-19-10(3)13(16(20)21-5-2)14-12(19)8-7-11-15(14)18-23-17-11/h7-8H,4-6,9H2,1-3H3 KVAQWFKBVRFFBV-UHFFFAOYSA-N 77494 6-butoxy-7-methyl-8-pyrrolo[2,3-g][2,1,3]benzoxadiazolecarboxylic acid ethyl ester::6-butoxy-7-methyl-pyrrolo[2,3-g][2,1,3]benzoxadiazole-8-carboxylic acid ethyl ester::MLS000043184::SMR000019805::cid_3237885::ethyl 6-butoxy-7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole-8-carboxylate::ethyl 6-butoxy-7-methyl-pyrrolo[2,3-g][2,1,3]benzoxadiazole-8-carboxylate::ethyl 6-butoxy-7-methylpyrrolo[2,3-g][2,1,3]benzoxadiazole-8-carboxylate Caspase-7 Homo sapiens >85275 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77494&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3237885 252654526 ZINC04110542 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143190 COC(=O)C1=C(CCS1)NC(=O)c1cccc(OC)c1 InChI=1S/C14H15NO4S/c1-18-10-5-3-4-9(8-10)13(16)15-11-6-7-20-12(11)14(17)19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16) GPDZLUNLXHMMLS-UHFFFAOYSA-N 77495 4-(m-anisoylamino)-2,3-dihydrothiophene-5-carboxylic acid methyl ester::4-[[(3-methoxyphenyl)-oxomethyl]amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester::MLS000087766::SMR000023986::cid_3241864::methyl 3-[(3-methoxybenzoyl)amino]-4,5-dihydrothiophene-2-carboxylate::methyl 4-[(3-methoxybenzoyl)amino]-2,3-dihydrothiophene-5-carboxylate::methyl 4-[(3-methoxyphenyl)carbonylamino]-2,3-dihydrothiophene-5-carboxylate Caspase-7 Homo sapiens >85251 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77495&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3241864 252654527 ZINC00265339 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143191 Cc1ccc(o1)-c1cc(c(C#N)c(SCCC#N)n1)C(F)(F)F InChI=1S/C15H10F3N3OS/c1-9-3-4-13(22-9)12-7-11(15(16,17)18)10(8-20)14(21-12)23-6-2-5-19/h3-4,7H,2,6H2,1H3 JTFCSNCDIGQZMX-UHFFFAOYSA-N 30895 2-(2-cyanoethylsulfanyl)-6-(5-methylfuran-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile::2-(2-cyanoethylthio)-6-(5-methyl-2-furanyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile::2-(2-cyanoethylthio)-6-(5-methyl-2-furyl)-4-(trifluoromethyl)nicotinonitrile::2-[(2-cyanoethyl)thio]-6-(5-methyl-2-furyl)-4-(trifluoromethyl)nicotinonitrile::MLS000050673::SMR000078131::cid_2216841 Caspase-7 Homo sapiens >85245 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=30895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=30895&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2216841 252615150 ZINC38142885 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143192 Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12 InChI=1S/C17H14N4/c1-11-9-15-16(10-14(11)18)20-21(19-15)17-8-4-6-12-5-2-3-7-13(12)17/h2-10H,18H2,1H3 OYIAMBODMBMDGO-UHFFFAOYSA-N 33057 6-methyl-2-(1-naphthalenyl)-5-benzotriazolamine::6-methyl-2-(1-naphthyl)-2H-1,2,3-benzotriazol-5-amine::6-methyl-2-naphthalen-1-yl-benzotriazol-5-amine::6-methyl-2-naphthalen-1-ylbenzotriazol-5-amine::MLS000064228::SMR000076237::[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]amine::cid_938026 Caspase-7 Homo sapiens >85212 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33057&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 938026 252616187 ZINC00532766 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143193 Cc1ccc(o1)C1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 InChI=1S/C24H23NO2/c1-14-8-11-20(27-14)23-22-17(12-24(2,3)13-19(22)26)21-16-7-5-4-6-15(16)9-10-18(21)25-23/h4-11,23,25H,12-13H2,1-3H3 CRRDAXPCCFEKBN-UHFFFAOYSA-N 77496 2,2-Dimethyl-5-(5-methyl-furan-2-yl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one::2,2-dimethyl-5-(5-methyl-2-furanyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::2,2-dimethyl-5-(5-methyl-2-furyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::2,2-dimethyl-5-(5-methylfuran-2-yl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::MLS000525463::SMR000115937::cid_3107511 Caspase-7 Homo sapiens >85275 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77496&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3107511 252654528 ZINC00678448 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143194 CC(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1 InChI=1S/C19H21N3O/c1-14-7-9-16(10-8-14)13-22-18-6-4-3-5-17(18)21-19(22)11-12-20-15(2)23/h3-10H,11-13H2,1-2H3,(H,20,23) HGPBOHLXNHQUCN-UHFFFAOYSA-N 77497 MLS000522781::N-[2-[1-(4-methylbenzyl)benzimidazol-2-yl]ethyl]acetamide::N-[2-[1-[(4-methylphenyl)methyl]-2-benzimidazolyl]ethyl]acetamide::N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide::N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]ethanamide::SMR000128047::cid_3160764 Caspase-7 Homo sapiens >85222 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77497&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3160764 252654529 ZINC04385669 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143195 CC1(C)CC(=O)C2=C(C1)c1c(NC2c2ccc(Br)o2)ccc2ccccc12 InChI=1S/C23H20BrNO2/c1-23(2)11-15-20-14-6-4-3-5-13(14)7-8-16(20)25-22(21(15)17(26)12-23)18-9-10-19(24)27-18/h3-10,22,25H,11-12H2,1-2H3 RYYGQQKVEMFWTE-UHFFFAOYSA-N 77498 5-(5-bromanylfuran-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::5-(5-bromo-2-furanyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::5-(5-bromo-2-furyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::5-(5-bromo-2-furyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one::5-(5-bromofuran-2-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one::MLS000534730::SMR000142147::cid_2925038 Caspase-7 Homo sapiens >85222 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77498&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2925038 252654530 ZINC01162068 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143196 COc1ccccc1Nc1nc2c(C)cccc2cc1C#N InChI=1S/C18H15N3O/c1-12-6-5-7-13-10-14(11-19)18(21-17(12)13)20-15-8-3-4-9-16(15)22-2/h3-10H,1-2H3,(H,20,21) JCZUKBMQBQFZDZ-UHFFFAOYSA-N 77499 2-(2-Methoxy-phenylamino)-8-methyl-quinoline-3-carbonitrile::2-(2-methoxyanilino)-8-methyl-3-quinolinecarbonitrile::2-(2-methoxyanilino)-8-methylquinoline-3-carbonitrile::2-[(2-methoxyphenyl)amino]-8-methyl-quinoline-3-carbonitrile::8-methyl-2-(o-anisidino)quinoline-3-carbonitrile::MLS000551998::SMR000172503::cid_865262 Caspase-7 Homo sapiens 9486 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77499&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 865262 252654531 ZINC00421804 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143197 Cc1ccc(C)c(c1)N(CC(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1)S(C)(=O)=O InChI=1S/C25H25N3O3S2/c1-16-5-7-18(3)22(13-16)28(33(4,30)31)15-24(29)26-20-10-8-19(9-11-20)25-27-21-12-6-17(2)14-23(21)32-25/h5-14H,15H2,1-4H3,(H,26,29) KBKQMCLGYZGULC-UHFFFAOYSA-N 77500 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide::2-(N-mesyl-2,5-dimethyl-anilino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide::2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide::MLS000574459::N~2~-(2,5-dimethylphenyl)-N~1~-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-N~2~-(methylsulfonyl)glycinamide::SMR000195123::cid_1337930 Caspase-7 Homo sapiens >85247 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77500&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 1337930 252654532 ZINC01172459 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143198 Cc1c(Cc2ccccc2)sc(N=Cc2c(O)ccc3ccccc23)c1C(N)=O InChI=1S/C24H20N2O2S/c1-15-21(13-16-7-3-2-4-8-16)29-24(22(15)23(25)28)26-14-19-18-10-6-5-9-17(18)11-12-20(19)27/h2-12,14,27H,13H2,1H3,(H2,25,28) KMOCCUDACMAAFO-UHFFFAOYSA-N 63168 4-methyl-2-[[(Z)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]amino]-5-(phenylmethyl)thiophene-3-carboxamide::4-methyl-2-[[(Z)-(2-oxo-1-naphthalenylidene)methyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide::5-Benzyl-2-[(2-hydroxy-naphthalen-1-ylmethylene)-amino]-4-methyl-thiophene-3-carboxylic acid amide::5-benzyl-2-[[(Z)-(2-keto-1-naphthylidene)methyl]amino]-4-methyl-thiophene-3-carboxamide::5-benzyl-4-methyl-2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]thiophene-3-carboxamide::MLS000555066::SMR000171736::cid_5432072 Caspase-7 Homo sapiens >85267 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=63168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=63168&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 5432072 252642281 ZINC13126175 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143199 Oc1ccccc1C=NNC(=O)C(=O)CC1=NC2(CCCC2)Cc2ccccc12 InChI=1S/C23H23N3O3/c27-20-10-4-2-8-17(20)15-24-26-22(29)21(28)13-19-18-9-3-1-7-16(18)14-23(25-19)11-5-6-12-23/h1-4,7-10,15,27H,5-6,11-14H2,(H,26,29) VFBQUIGJHIOTQT-UHFFFAOYSA-N 57513 (3Z)-2-keto-N'-[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidene-propionohydrazide::(3Z)-2-oxidanylidene-N'-[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidene-propanehydrazide::(3Z)-2-oxo-N'-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-(1-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]ylidene)propanehydrazide::(3Z)-2-oxo-N'-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide::MLS000589649::SMR000219463::cid_6506668 Caspase-7 Homo sapiens >85267 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=57513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=57513&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 91897310 252637440 ZINC05032590 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143200 COc1ccc(cc1)C1=NC(=O)\C(O1)=C/c1cc(OC)c(OC)c(OC)c1 InChI=1S/C20H19NO6/c1-23-14-7-5-13(6-8-14)20-21-19(22)17(27-20)11-12-9-15(24-2)18(26-4)16(10-12)25-3/h5-11H,1-4H3/b17-11+ AWAVOWPVYRYKLG-GZTJUZNOSA-N 77501 (5E)-2-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-oxazol-4(5H)-one::(5E)-2-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)-2-oxazolin-4-one::(5E)-2-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-4-one::(5E)-2-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-4-oxazolone::MLS000585672::SMR000204235::cid_12005122 Caspase-7 Homo sapiens >85245 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77501&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 12005122 252654533 ZINC13496308 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143201 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1 InChI=1S/C21H18N2O2S2/c1-14-3-10-18(11-4-14)27(24,25)23-17-8-6-16(7-9-17)21-22-19-12-5-15(2)13-20(19)26-21/h3-13,23H,1-2H3 WEYDOFUEQCRNJY-UHFFFAOYSA-N 77502 4-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-benzenesulfonamide::4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide::MLS000587794::SMR000211759::cid_1239093 Caspase-7 Homo sapiens >85267 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77502&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 1239093 252654534 ZINC01024873 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143202 NS(=O)(=O)c1ccc2n(CC=C)\c(=N\C(=O)c3cc(nc4ccccc34)-c3cccs3)sc2c1 InChI=1S/C24H18N4O3S3/c1-2-11-28-20-10-9-15(34(25,30)31)13-22(20)33-24(28)27-23(29)17-14-19(21-8-5-12-32-21)26-18-7-4-3-6-16(17)18/h2-10,12-14H,1,11H2,(H2,25,30,31)/b27-24- QMMOPPTXWQARSA-PNHLSOANSA-N 77503 MLS000697060::N-(3-allyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-2-(2-thienyl)cinchoninamide::N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-4-quinolinecarboxamide::N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-quinoline-4-carboxamide::N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylquinoline-4-carboxamide::SMR000237872::cid_4192032 Caspase-7 Homo sapiens >3157 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77503&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 4192032 252654535 ZINC13139109 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143203 Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)-c1ccccc1 InChI=1S/C23H17N3O2/c27-22-19-20(16-10-4-1-5-11-16)24-26(18-14-8-3-9-15-18)21(19)23(28)25(22)17-12-6-2-7-13-17/h1-15,24,28H ULZOHUOAXQJTKO-UHFFFAOYSA-N 77504 1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione::1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione::1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-quinone::MLS000681118::SMR000269383::cid_2900872 Caspase-7 Homo sapiens >85267 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77504&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 91898199 252654536 ZINC04147019 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143204 CCN(CC)c1ccc(C=NNC(=S)NCc2ccco2)cc1 InChI=1S/C17H22N4OS/c1-3-21(4-2)15-9-7-14(8-10-15)12-19-20-17(23)18-13-16-6-5-11-22-16/h5-12H,3-4,13H2,1-2H3,(H2,18,20,23) VJUNLCDAPXNXGM-UHFFFAOYSA-N 77505 1-[[4-(diethylamino)benzylidene]amino]-3-(2-furfuryl)thiourea::1-[[4-(diethylamino)phenyl]methylideneamino]-3-(2-furanylmethyl)thiourea::1-[[4-(diethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea::4-(diethylamino)benzaldehyde N-(2-furylmethyl)thiosemicarbazone::MLS000701374::SMR000225232::cid_1226537 Caspase-7 Homo sapiens >85267 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77505&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 6167753 252654537 ZINC33291420 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143205 CC(NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O)C1CCCO1 InChI=1S/C16H16N2O6/c1-9(13-3-2-6-23-13)17-15(19)12-8-10-7-11(18(21)22)4-5-14(10)24-16(12)20/h4-5,7-9,13H,2-3,6H2,1H3,(H,17,19) PYPKJEBAJJXXHF-UHFFFAOYSA-N 77506 2-keto-6-nitro-N-[1-(tetrahydrofuryl)ethyl]chromene-3-carboxamide::6-nitro-2-oxidanylidene-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide::6-nitro-2-oxo-N-[1-(2-oxolanyl)ethyl]-1-benzopyran-3-carboxamide::6-nitro-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide::6-nitro-2-oxo-N-[1-(tetrahydro-2-furanyl)ethyl]-2H-chromene-3-carboxamide::MLS000684331::SMR000295896::cid_2970929 Caspase-7 Homo sapiens 20198 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77506&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2970929 252654538 ZINC01054839 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143206 Oc1ccc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c(O)c1 InChI=1S/C26H19N3O4/c30-20-12-11-19(23(31)13-20)14-27-28-25(32)18-9-7-16(8-10-18)15-29-22-6-2-4-17-3-1-5-21(24(17)22)26(29)33/h1-14,30-31H,15H2,(H,28,32) YPHLIIOUWDBJDG-UHFFFAOYSA-N 50445 4-[(2-oxidanylidenebenzo[cd]indol-1-yl)methyl]-N'-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide::MLS000336740::N'-[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-4-[(2-ketobenzo[cd]indol-1-yl)methyl]benzohydrazide::N'-[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4-[(2-oxo-1-benzo[cd]indolyl)methyl]benzohydrazide::N'-[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzohydrazide::SMR000244055::cid_6508318 Caspase-7 Homo sapiens >85267 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 6508318 252630705 ZINC03242187 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143207 CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1ccc(C)cc1 InChI=1S/C20H20N2O3/c1-3-10-21-20(25)14-8-9-15-16(11-14)22-17(19(24)18(15)23)13-6-4-12(2)5-7-13/h4-9,11,24H,3,10H2,1-2H3,(H,21,25)(H,22,23) XXPMVUNCOJGLHG-UHFFFAOYSA-N 77507 2-(4-methyl-phenyl)-3-hydroxy-4(1H)-quinolinone-7-carboxylic acid N-propylamide::2-(4-methylphenyl)-3-oxidanyl-4-oxidanylidene-N-propyl-1H-quinoline-7-carboxamide::3-hydroxy-2-(4-methylphenyl)-4-oxo-N-propyl-1H-quinoline-7-carboxamide::3-hydroxy-4-keto-N-propyl-2-(p-tolyl)-1H-quinoline-7-carboxamide::MLS000888975::SMR000453628::cid_16745864 Caspase-7 Homo sapiens >85301 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77507&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16745864 252654539 ZINC15952298 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143208 Oc1c(Br)cc(Br)cc1C=NNC(=S)N[C@H]1CC2CC1C=C2 InChI=1S/C15H15Br2N3OS/c16-11-5-10(14(21)12(17)6-11)7-18-20-15(22)19-13-4-8-1-2-9(13)3-8/h1-2,5-9,13,21H,3-4H2,(H2,19,20,22)/t8?,9?,13-/m0/s1 TZDQUZYIATYIIL-RPTIHFLNSA-N 47551 1-[(5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[(E)-(3,5-dibromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea::1-[(5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[(E)-(3,5-dibromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea::1-[(5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[(E)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea::1-[(5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[(E)-[3,5-bis(bromanyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea::MLS000849875::N1-bicyclo[2.2.1]hept-5-en-2-yl-2-(3,5-dibromo-2-hydroxybenzylidene)hydrazine-1-carbothioamide::SMR000455893::cid_6708487 Caspase-7 Homo sapiens >85267 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47551&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 6708487 252627862 ZINC13118541 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143209 CC(=O)Oc1c(oc2ccccc2c1=O)-c1ccc(Br)o1 InChI=1S/C15H9BrO5/c1-8(17)19-15-13(18)9-4-2-3-5-10(9)21-14(15)11-6-7-12(16)20-11/h2-7H,1H3 RHNUCGQBBOJPOY-UHFFFAOYSA-N 65559 2-(5-bromo-2-furyl)-4-oxo-4H-chromen-3-yl acetate::MLS001163647::SMR000498637::[2-(5-bromanylfuran-2-yl)-4-oxidanylidene-chromen-3-yl] ethanoate::[2-(5-bromofuran-2-yl)-4-oxochromen-3-yl] acetate::acetic acid [2-(5-bromo-2-furanyl)-4-oxo-1-benzopyran-3-yl] ester::acetic acid [2-(5-bromo-2-furyl)-4-keto-chromen-3-yl] ester::cid_1696227 Caspase-7 Homo sapiens >85301 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=65559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=65559&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 1696227 252644031 ZINC01978539 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143210 COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12 InChI=1S/C18H15NO6/c1-24-18(23)11-4-2-3-5-13(11)19-9-10-6-17(22)25-16-8-15(21)14(20)7-12(10)16/h2-8,19-21H,9H2,1H3 CKECVQYXPRUTPM-UHFFFAOYSA-N 53108 2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylamino]benzoic acid methyl ester::2-[(6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methylamino]benzoic acid methyl ester::MLS001214762::SMR000543544::cid_5574594::methyl 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylamino]benzoate::methyl 2-[[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methylamino]benzoate Caspase-7 Homo sapiens >85247 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=53108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=53108&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 5574594 252633241 ZINC09491225 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143211 CC1(C)Cc2c(CO1)c(nc1sc(C(=O)Nc3ccccc3)c(N)c21)N1CCCC1 InChI=1S/C23H26N4O2S/c1-23(2)12-15-16(13-29-23)20(27-10-6-7-11-27)26-22-17(15)18(24)19(30-22)21(28)25-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13,24H2,1-2H3,(H,25,28) UBBHQNULKMIQQI-UHFFFAOYSA-N 77508 MLS001140535::SMR000650575::cid_4907739 Caspase-7 Homo sapiens >85275 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77508&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 4907739 242053621 ZINC05304365 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 143212 COc1ccc(cc1)-c1sc2ccc(OC)cc2c1C#Cc1ccccn1 InChI=1S/C23H17NO2S/c1-25-18-9-6-16(7-10-18)23-20(12-8-17-5-3-4-14-24-17)21-15-19(26-2)11-13-22(21)27-23/h3-7,9-11,13-15H,1-2H3 KKLIUQGRJMMTIH-UHFFFAOYSA-N 77509 2-[2-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethynyl]pyridine::2-[2-[5-methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]ethynyl]pyridine::MLS002391662::SMR001355627::cid_44142497 Caspase-7 Homo sapiens >85239 PubChem 10.7270/Q22V2DK6 aid489013 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=77509&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44142497 252654540 ZINC36388696 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147821 Oc1c(oc2ccccc2c1=O)-c1ccc2OCOc2c1 InChI=1S/C16H10O5/c17-14-10-3-1-2-4-11(10)21-16(15(14)18)9-5-6-12-13(7-9)20-8-19-12/h1-7,18H,8H2 RQYDCAXLKOYPFU-UHFFFAOYSA-N 79428 2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-benzopyran-4-one::2-(1,3-benzodioxol-5-yl)-3-hydroxy-chromone::2-(1,3-benzodioxol-5-yl)-3-hydroxychromen-4-one::2-(1,3-benzodioxol-5-yl)-3-oxidanyl-chromen-4-one::2-Benzo[1,3]dioxol-5-yl-3-hydroxy-chromen-4-one::MLS000026972::SMR000009557::cid_624794 Caspase-7 Homo sapiens >85267 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79428&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 624794 252656084 ZINC00053300 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147822 COc1ccc(cc1OC)-c1cc(C(=O)OC2CCOC2=O)c2ccccc2n1 InChI=1S/C22H19NO6/c1-26-18-8-7-13(11-20(18)27-2)17-12-15(14-5-3-4-6-16(14)23-17)21(24)29-19-9-10-28-22(19)25/h3-8,11-12,19H,9-10H2,1-2H3 OKPMCWIIYRPBPE-UHFFFAOYSA-N 79429 (2-oxidanylideneoxolan-3-yl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate::(2-oxooxolan-3-yl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate::2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester::2-(3,4-dimethoxyphenyl)cinchoninic acid (2-ketotetrahydrofuran-3-yl) ester::MLS000081723::SMR000062971::cid_2999765 Caspase-7 Homo sapiens >85318 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79429&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2999765 252656085 ZINC03251714 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147823 COc1ccc2C(CC(=O)c3ccc(cc3)N(C)C)OC(=O)c2c1OC InChI=1S/C20H21NO5/c1-21(2)13-7-5-12(6-8-13)15(22)11-17-14-9-10-16(24-3)19(25-4)18(14)20(23)26-17/h5-10,17H,11H2,1-4H3 TXJFUEJJOGKVSV-UHFFFAOYSA-N 79430 3-[2-[4-(dimethylamino)phenyl]-2-keto-ethyl]-6,7-dimethoxy-phthalide::3-[2-[4-(dimethylamino)phenyl]-2-oxidanylidene-ethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one::3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one::3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-6,7-dimethoxy-3H-isobenzofuran-1-one::MLS000108118::SMR000104080::cid_2864745 Caspase-7 Homo sapiens >85261 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79430&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2864745 252656086 ZINC01204286 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147824 COc1ccc(Nc2ncc(C(=O)N3CCN(CC3)c3ccc(F)cc3)c3ccccc23)cc1 InChI=1S/C27H25FN4O2/c1-34-22-12-8-20(9-13-22)30-26-24-5-3-2-4-23(24)25(18-29-26)27(33)32-16-14-31(15-17-32)21-10-6-19(28)7-11-21/h2-13,18H,14-17H2,1H3,(H,29,30) JEGDKRQQLMZELX-UHFFFAOYSA-N 79431 MLS000519824::SMR000130242::[4-(4-fluorophenyl)-1-piperazinyl]-[1-(4-methoxyanilino)-4-isoquinolinyl]methanone::[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyanilino)isoquinolin-4-yl]methanone::[4-(4-fluorophenyl)piperazin-1-yl]-[1-[(4-methoxyphenyl)amino]isoquinolin-4-yl]methanone::[4-(4-fluorophenyl)piperazino]-[1-(p-anisidino)-4-isoquinolyl]methanone::cid_9550319 Caspase-7 Homo sapiens >85236 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79431&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9550319 252656087 ZINC04734277 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147825 Oc1c(Cl)c(N=CC=C)c(O)n1-c1cccc(Cl)c1Cl InChI=1S/C13H9Cl3N2O2/c1-2-6-17-11-10(16)12(19)18(13(11)20)8-5-3-4-7(14)9(8)15/h2-6,19-20H,1H2 JOTBPOJDRZRGQG-UHFFFAOYSA-N 79432 1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(prop-2-enylamino)pyrrole-2,5-dione::3-(allylamino)-4-chloro-1-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dione::3-(allylamino)-4-chloro-1-(2,3-dichlorophenyl)-3-pyrroline-2,5-quinone::3-chloro-1-(2,3-dichlorophenyl)-4-(prop-2-enylamino)pyrrole-2,5-dione::MLS000533809::SMR000141247::cid_1560351 Caspase-7 Homo sapiens >85252 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79432&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 91898259 252656088 ZINC01766053 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147826 O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(CC1)N1C(=O)C2C(C3C=CC2C2CC32)C1=O InChI=1S/C30H31N3O3/c34-28(32-20-5-1-17(2-6-20)15-18-11-13-31-14-12-18)19-3-7-21(8-4-19)33-29(35)26-22-9-10-23(25-16-24(22)25)27(26)30(33)36/h1-2,5-6,9-14,19,21-27H,3-4,7-8,15-16H2,(H,32,34) DBWUIZGNBARRLJ-UHFFFAOYSA-N 79433 MLS000556848::SMR000147965::cid_4678256 Caspase-7 Homo sapiens >85284 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79433&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 4678256 242053722 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147827 COc1ccc(cc1)-c1cc(C(=O)OC2CCOC2=O)c2ccccc2n1 InChI=1S/C21H17NO5/c1-25-14-8-6-13(7-9-14)18-12-16(15-4-2-3-5-17(15)22-18)20(23)27-19-10-11-26-21(19)24/h2-9,12,19H,10-11H2,1H3 PRPTXEHMVVHHEF-UHFFFAOYSA-N 79434 (2-oxidanylideneoxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate::(2-oxooxolan-3-yl) 2-(4-methoxyphenyl)quinoline-4-carboxylate::2-(4-methoxyphenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester::2-(4-methoxyphenyl)cinchoninic acid (2-ketotetrahydrofuran-3-yl) ester::MLS000564384::SMR000151943::cid_3690908 Caspase-7 Homo sapiens >85301 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79434&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3690908 252656089 ZINC03239731 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147828 COc1ccc(cc1)C(=O)NN=Cc1ccc2cccc(OCc3ccccc3)c2n1 InChI=1S/C25H21N3O3/c1-30-22-14-11-20(12-15-22)25(29)28-26-16-21-13-10-19-8-5-9-23(24(19)27-21)31-17-18-6-3-2-4-7-18/h2-16H,17H2,1H3,(H,28,29) LTXMRAGWIDQTQT-UHFFFAOYSA-N 51685 4-methoxy-N-[(8-phenylmethoxy-2-quinolinyl)methylideneamino]benzamide::4-methoxy-N-[(8-phenylmethoxyquinolin-2-yl)methylideneamino]benzamide::MLS000544514::N'-{[8-(benzyloxy)-2-quinolinyl]methylene}-4-methoxybenzohydrazide::N-[(8-benzoxy-2-quinolyl)methyleneamino]-4-methoxy-benzamide::SMR000163095::cid_1237301 Caspase-7 Homo sapiens >85260 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=51685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=51685&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9564899 252631866 ZINC00255771 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147829 CCOC(=O)C(C=Nc1cc(OC)ccc1OC)C#N InChI=1S/C14H16N2O4/c1-4-20-14(17)10(8-15)9-16-12-7-11(18-2)5-6-13(12)19-3/h5-7,9-10H,4H2,1-3H3 JRSXAHFDBYQTSY-UHFFFAOYSA-N 79435 (E)-2-Cyano-3-(2,5-dimethoxy-phenylamino)-acrylic acid ethyl ester::(E)-2-cyano-3-(2,5-dimethoxyanilino)-2-propenoic acid ethyl ester::(E)-2-cyano-3-(2,5-dimethoxyanilino)acrylic acid ethyl ester::MLS000590927::SMR000217816::cid_1957350::ethyl (E)-2-cyano-3-(2,5-dimethoxyanilino)prop-2-enoate::ethyl (E)-2-cyano-3-[(2,5-dimethoxyphenyl)amino]prop-2-enoate Caspase-7 Homo sapiens >85309 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79435&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 91898260 252656090 ZINC14796362 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147830 Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1 InChI=1S/C24H17N3O3/c28-22(16-10-4-1-5-11-16)20-19-21(27(25-20)18-14-8-3-9-15-18)24(30)26(23(19)29)17-12-6-2-7-13-17/h1-15,25,30H CQVNQCPCWOHMOS-UHFFFAOYSA-N 33115 1,5-diphenyl-3-(phenylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione::3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione::3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione::3-benzoyl-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-quinone::MLS000573554::SMR000195343::cid_2901205 Caspase-7 Homo sapiens >85262 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33115&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 91896170 252616243 ZINC18173509 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147831 COC(=O)c1[nH]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c12 InChI=1S/C20H16ClN3O5/c1-28-14-6-4-3-5-13(14)23-18(25)15-16(20(27)29-2)22-24(17(15)19(23)26)12-9-7-11(21)8-10-12/h3-10,22,26H,1-2H3 AXHYKAVLYBPWMR-UHFFFAOYSA-N 79436 1-(4-Chloro-phenyl)-5-(2-methoxy-phenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydro-pyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester::1-(4-chlorophenyl)-4,6-diketo-5-(2-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester::1-(4-chlorophenyl)-5-(2-methoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester::MLS000590216::SMR000219345::cid_3805981::methyl 1-(4-chlorophenyl)-5-(2-methoxyphenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate::methyl 1-(4-chlorophenyl)-5-(2-methoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Caspase-7 Homo sapiens >85261 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79436&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 91898261 252656091 ZINC04281919 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147832 COc1cc2CCN(C(C)c2cc1OC)C(=O)c1cc2COc3ccccc3-c2s1 InChI=1S/C24H23NO4S/c1-14-18-12-21(28-3)20(27-2)10-15(18)8-9-25(14)24(26)22-11-16-13-29-19-7-5-4-6-17(19)23(16)30-22/h4-7,10-12,14H,8-9,13H2,1-3H3 USRNXPXBHWOPRO-UHFFFAOYSA-N 66459 (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c][1]benzopyran-2-yl)methanone::(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone::6,7-dimethoxy-1-methyl-2-(4H-thieno[3,2-c]chromen-2-ylcarbonyl)-1,2,3,4-tetrahydroisoquinoline::MLS000586894::SMR000208824::cid_15944690 Caspase-7 Homo sapiens >85267 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=66459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=66459&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 15944690 252644780 ZINC05051141 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147833 O=C(Nc1ccc2OCCOc2c1)c1coc2ccccc2c1=O InChI=1S/C18H13NO5/c20-17-12-3-1-2-4-14(12)24-10-13(17)18(21)19-11-5-6-15-16(9-11)23-8-7-22-15/h1-6,9-10H,7-8H2,(H,19,21) GTDJYRVSPHQROT-UHFFFAOYSA-N 63310 MLS000418008::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-chromene-3-carboxamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-chromene-3-carboxamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1-benzopyran-3-carboxamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide::SMR000264804::cid_2395074 Caspase-7 Homo sapiens >85266 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=63310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=63310&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 2395074 252642422 ZINC03279607 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147834 CCOc1ccc(NC=C2C(=O)CC(CC2=O)c2ccco2)cc1 InChI=1S/C19H19NO4/c1-2-23-15-7-5-14(6-8-15)20-12-16-17(21)10-13(11-18(16)22)19-4-3-9-24-19/h3-9,12-13,20H,2,10-11H2,1H3/b16-12- LVMKDGQXYCGIMF-VBKFSLOCSA-N 79437 2-[(4-ethoxyanilino)methylidene]-5-(2-furanyl)cyclohexane-1,3-dione::2-[(4-ethoxyanilino)methylidene]-5-(furan-2-yl)cyclohexane-1,3-dione::2-[[(4-ethoxyphenyl)amino]methylidene]-5-(furan-2-yl)cyclohexane-1,3-dione::2-{[(4-ethoxyphenyl)amino]methylene}-5-(2-furyl)-1,3-cyclohexanedione::5-(2-furyl)-2-(p-phenetidinomethylene)cyclohexane-1,3-quinone::MLS000666629::SMR000268302::cid_760310 Caspase-7 Homo sapiens >85301 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79437&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 760310 252656092 ZINC00228077 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147835 COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 InChI=1S/C25H19N3O4/c1-32-19-15-9-8-14-18(19)27-24(30)20-21(23(29)16-10-4-2-5-11-16)26-28(22(20)25(27)31)17-12-6-3-7-13-17/h2-15,26,31H,1H3 QZZKHOUJNRPPES-UHFFFAOYSA-N 51266 3-Benzoyl-5-(2-methoxy-phenyl)-1-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione::3-benzoyl-5-(2-methoxyphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione::3-benzoyl-5-(2-methoxyphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-quinone::5-(2-methoxyphenyl)-1-phenyl-3-(phenylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione::MLS000769406::SMR000434220::cid_3565160 Caspase-7 Homo sapiens >85267 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=51266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=51266&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 91896984 252631495 ZINC08918921 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147836 Cc1[nH]nc2OC(=N)C(C#N)C(c3c[nH]c4ccccc34)c12 InChI=1S/C16H13N5O/c1-8-13-14(10(6-17)15(18)22-16(13)21-20-8)11-7-19-12-5-3-2-4-9(11)12/h2-5,7,10,14,18-19H,1H3,(H,20,21) AAPNUGJXLNEYFD-UHFFFAOYSA-N 71227 6-Amino-4-(1H-indol-3-yl)-3-methyl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile::6-amino-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile::6-azanyl-4-(1H-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile::MLS001030009::SMR000427217::cid_4994275 Caspase-7 Homo sapiens 27775 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=71227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=71227&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 91897970 252648759 ZINC04786129 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 147837 COc1cccc(NC(=O)c2ccnc(c2)N2CCC(CC2)C(=O)NCc2cc(OC)ccc2OC)c1 InChI=1S/C28H32N4O5/c1-35-23-6-4-5-22(17-23)31-28(34)20-9-12-29-26(16-20)32-13-10-19(11-14-32)27(33)30-18-21-15-24(36-2)7-8-25(21)37-3/h4-9,12,15-17,19H,10-11,13-14,18H2,1-3H3,(H,30,33)(H,31,34) GHMRTSZILHFRHP-UHFFFAOYSA-N 79438 2-[4-[(2,5-dimethoxybenzyl)carbamoyl]piperidino]-N-(3-methoxyphenyl)isonicotinamide::2-[4-[(2,5-dimethoxyphenyl)methylcarbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide::2-[4-[[(2,5-dimethoxyphenyl)methylamino]-oxomethyl]-1-piperidinyl]-N-(3-methoxyphenyl)-4-pyridinecarboxamide::MLS000924798::SMR000623699::cid_20867012 Caspase-7 Homo sapiens >85284 PubChem 10.7270/Q20V8B80 aid504330 PubChem, PC The Scripps Research Institute Molecular Screening Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=79438&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 20867012 252656093 ZINC20320334 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304016 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C31H38N4O11S/c1-19(2)26(29(41)32-22(16-24(36)37)14-15-47(3,44)45)34-30(42)27(21-12-8-5-9-13-21)35-28(40)23(17-25(38)39)33-31(43)46-18-20-10-6-4-7-11-20/h4-15,19,22-23,26-27H,16-18H2,1-3H3,(H,32,41)(H,33,43)(H,34,42)(H,35,40)(H,36,37)(H,38,39)/b15-14+/t22-,23+,26+,27+/m1/s1 ACPNTFIHYLLTHQ-QUKXJIHKSA-N 160786 US10167313, Compound 53::US9045524, 53 Caspase-7 Homo sapiens 800 US Patent 10.7270/Q2GT5KX8 aid1801281 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160786&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44520164 295369551 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304026 CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C36H42N4O11S/c1-22(2)32(35(47)37-26(19-30(41)42)16-17-52(3,49)50)40-34(46)28(18-25-14-9-13-24-12-7-8-15-27(24)25)38-33(45)29(20-31(43)44)39-36(48)51-21-23-10-5-4-6-11-23/h4-17,22,26,28-29,32H,18-21H2,1-3H3,(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,42)(H,43,44)/b17-16+/t26-,28+,29+,32+/m1/s1 HYTPBQJCCJPQDT-NDQLTZCHSA-N 160841 US9045524, 111 Caspase-7 Homo sapiens >3330 US Patent 10.7270/Q2GT5KX8 aid1801281 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160841&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88216880 295369570 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304036 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O InChI=1S/C31H37ClN4O11S/c1-18(2)26(29(42)33-21(15-24(37)38)14-23(32)48(3,45)46)35-30(43)27(20-12-8-5-9-13-20)36-28(41)22(16-25(39)40)34-31(44)47-17-19-10-6-4-7-11-19/h4-14,18,21-22,26-27H,15-17H2,1-3H3,(H,33,42)(H,34,44)(H,35,43)(H,36,41)(H,37,38)(H,39,40)/b23-14+/t21-,22+,26+,27+/m1/s1 IPHOHJYEJYKOEY-PANXAFENSA-N 160849 US9045524, 123 Caspase-7 Homo sapiens 500 US Patent 10.7270/Q2GT5KX8 aid1801281 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160849&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88542593 295369571 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304092 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O InChI=1S/C35H40ClN5O11S/c1-20(2)31(34(48)38-24(17-29(42)43)16-28(36)53(3,50)51)41-33(47)26(15-23-14-13-22-11-7-8-12-25(22)37-23)39-32(46)27(18-30(44)45)40-35(49)52-19-21-9-5-4-6-10-21/h4-14,16,20,24,26-27,31H,15,17-19H2,1-3H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b28-16+/t24-,26+,27+,31+/m1/s1 MFHQDLHNUMVDLA-COLSSZQCSA-N 160781 US10167313, Compound 48::US9045524, 48 Caspase-7 Homo sapiens 400 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160781&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44519987 295369548 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304093 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O InChI=1S/C30H35ClN4O8S2/c1-18(2)28(30(39)33-22(17-27(36)37)16-26(31)44(4,40)41)34-29(38)25(35-45(42,43)23-13-9-19(3)10-14-23)15-21-12-11-20-7-5-6-8-24(20)32-21/h5-14,16,18,22,25,28,35H,15,17H2,1-4H3,(H,33,39)(H,34,38)(H,36,37)/b26-16+/t22-,25+,28+/m1/s1 IENIVWGNTWFGIT-WQLZMRGMSA-N 160783 US10167313, Compound 50::US9045524, 50 Caspase-7 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160783&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88216787 295369549 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304094 CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C20H29NO6S/c1-19(2,3)26-17(22)14-15(21-18(23)27-20(4,5)6)12-13-28(24,25)16-10-8-7-9-11-16/h7-13,15H,14H2,1-6H3,(H,21,23)/b13-12+/t15-/m1/s1 VUAFUTLGMQEWHT-RDRICISKSA-N 160769 US10167313, Compound 36::US9045524, 36 Caspase-7 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160769&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 58206079 295369546 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304095 CC(C)(C)OC(=O)C[C@H](N)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C15H21NO4S/c1-15(2,3)20-14(17)11-12(16)9-10-21(18,19)13-7-5-4-6-8-13/h4-10,12H,11,16H2,1-3H3/b10-9+/t12-/m1/s1 IOAMUGYDDQIFMU-BZYZDCJZSA-N 160770 US10167313, Compound 37::US9045524, 37 Caspase-7 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160770&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 58206070 295369547 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304096 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)c1ccccc1)C(O)=O InChI=1S/C29H37N3O8/c1-18(2)23(27(36)37)31-26(35)24(20-14-10-7-11-15-20)32-25(34)21(16-22(33)40-29(3,4)5)30-28(38)39-17-19-12-8-6-9-13-19/h6-15,18,21,23-24H,16-17H2,1-5H3,(H,30,38)(H,31,35)(H,32,34)(H,36,37)/t21-,23-,24-/m0/s1 TWWZUCMYONWXDC-XWGVYQGASA-N 160750 US10167313, Compound 16::US9045524, 16 Caspase-7 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160750&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44520371 295369544 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304097 COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(C)C)\C=C\S(C)(=O)=O InChI=1S/C36H46N4O11S/c1-22(2)31(34(44)37-27(19-29(41)49-3)15-16-52(5,47)48)39-35(45)32(26-17-24-13-9-10-14-25(24)18-26)40-33(43)28(20-30(42)50-4)38-36(46)51-21-23-11-7-6-8-12-23/h6-16,22,26-28,31-32H,17-21H2,1-5H3,(H,37,44)(H,38,46)(H,39,45)(H,40,43)/b16-15+/t27-,28+,31+,32+/m1/s1 IFAZRBKXOSUJTL-KXARQNLPSA-N 160784 US10167313, Compound 51::US9045524, 51 Caspase-7 Homo sapiens >3000 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160784&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44520368 295369550 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304098 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C31H38N4O11S/c1-19(2)26(29(41)32-22(16-24(36)37)14-15-47(3,44)45)34-30(42)27(21-12-8-5-9-13-21)35-28(40)23(17-25(38)39)33-31(43)46-18-20-10-6-4-7-11-20/h4-15,19,22-23,26-27H,16-18H2,1-3H3,(H,32,41)(H,33,43)(H,34,42)(H,35,40)(H,36,37)(H,38,39)/b15-14+/t22-,23+,26+,27+/m1/s1 ACPNTFIHYLLTHQ-QUKXJIHKSA-N 160786 US10167313, Compound 53::US9045524, 53 Caspase-7 Homo sapiens 800 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160786&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44520164 295369551 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304099 CS(=O)(=O)\C=C\[C@@H](N)CC(O)=O InChI=1S/C6H11NO4S/c1-12(10,11)3-2-5(7)4-6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-/m1/s1 YWOBQYXNTMYGHV-WVSAJJKCSA-N 160824 US10167313, Compound 93::US9045524, 93 Caspase-7 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160824&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 58206133 295369567 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304100 CC(C)(C)OC(=O)C[C@H](N)\C=C\S(C)(=O)=O InChI=1S/C10H19NO4S/c1-10(2,3)15-9(12)7-8(11)5-6-16(4,13)14/h5-6,8H,7,11H2,1-4H3/b6-5+/t8-/m1/s1 NRMCWADOPNVXKA-HQZHTGGTSA-N 160766 US10167313, Compound 33::US9045524, 33 Caspase-7 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160766&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 58206078 295369545 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304101 CC(C)[C@H](NC(=O)C(Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C35H41N5O11S/c1-21(2)31(34(47)37-25(18-29(41)42)15-16-52(3,49)50)40-33(46)27(17-24-14-13-23-11-7-8-12-26(23)36-24)38-32(45)28(19-30(43)44)39-35(48)51-20-22-9-5-4-6-10-22/h4-16,21,25,27-28,31H,17-20H2,1-3H3,(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,42)(H,43,44)/b16-15+/t25-,27?,28+,31+/m1/s1 XDTNISVZIRJASF-DUQXNPHYSA-N 160804 US9045524, 71 Caspase-7 Homo sapiens 8900 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160804&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88542583 295369562 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304102 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C35H41N5O11S/c1-21(2)31(34(47)37-25(18-29(41)42)15-16-52(3,49)50)40-33(46)27(17-24-14-13-23-11-7-8-12-26(23)36-24)38-32(45)28(19-30(43)44)39-35(48)51-20-22-9-5-4-6-10-22/h4-16,21,25,27-28,31H,17-20H2,1-3H3,(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,42)(H,43,44)/b16-15+/t25-,27+,28+,31+/m1/s1 XDTNISVZIRJASF-WGPOSJAPSA-N 160788 US10167313, Compound 55::US9045524, 55 Caspase-7 Homo sapiens 1400 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160788&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44520165 295369552 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304103 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)Oc1ccccc1 InChI=1S/C40H43N5O12S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-58(54,55)57-30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32+,33+,36+/m1/s1 FZAVLWDWOZHIBJ-NQKMJEHBSA-N 160798 US10167313, Compound 65::US9045524, 65 Caspase-7 Homo sapiens 400 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160798&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88542580 295369557 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304104 CC(C)[C@H](NC(=O)C(Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C40H43N5O11S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-57(54,55)30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32?,33+,36+/m1/s1 CPFXCSLAAJOPLW-SDRXBJFUSA-N 160803 US9045524, 70 Caspase-7 Homo sapiens >10000 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160803&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 67986036 295369561 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304105 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C40H43N5O11S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-57(54,55)30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32+,33+,36+/m1/s1 CPFXCSLAAJOPLW-NQKMJEHBSA-N 160796 US10167313, Compound 63::US9045524, 63 Caspase-7 Homo sapiens 1800 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160796&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 67986027 295369556 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304106 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)\C=C\S(=O)(=O)N1CCOCC1 InChI=1S/C46H62N6O12S/c1-30(2)40(43(57)48-34(27-38(53)63-45(3,4)5)20-25-65(59,60)52-21-23-61-24-22-52)51-42(56)36(26-33-19-18-32-16-12-13-17-35(32)47-33)49-41(55)37(28-39(54)64-46(6,7)8)50-44(58)62-29-31-14-10-9-11-15-31/h9-20,25,30,34,36-37,40H,21-24,26-29H2,1-8H3,(H,48,57)(H,49,55)(H,50,58)(H,51,56)/b25-20+/t34-,36+,37+,40+/m1/s1 GVTFGSNZLNVNEH-GSIBMNKWSA-N 160799 US10167313, Compound 66::US9045524, 66 Caspase-7 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160799&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88216341 295369558 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304107 CC(C)[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C36H41N5O11S/c1-23(2)32(35(48)38-26(20-30(42)43)16-18-53(50,51)27-14-7-4-8-15-27)41-34(47)28(19-25-13-9-10-17-37-25)39-33(46)29(21-31(44)45)40-36(49)52-22-24-11-5-3-6-12-24/h3-18,23,26,28-29,32H,19-22H2,1-2H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b18-16+/t26-,28+,29+,32+/m1/s1 XTKUMMDOZMHSCM-DYDABGNVSA-N 160816 US10167313, Compound 85::US9045524, 85 Caspase-7 Homo sapiens 1000 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160816&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 70218944 295369565 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304108 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C36H40N4O11S/c1-23(2)31(34(46)37-26(20-29(41)42)18-19-52(49,50)27-16-10-5-11-17-27)39-35(47)32(25-14-8-4-9-15-25)40-33(45)28(21-30(43)44)38-36(48)51-22-24-12-6-3-7-13-24/h3-19,23,26,28,31-32H,20-22H2,1-2H3,(H,37,46)(H,38,48)(H,39,47)(H,40,45)(H,41,42)(H,43,44)/b19-18+/t26-,28+,31+,32+/m1/s1 XNKWERCTKCULEN-OPZJAVCUSA-N 160802 US10167313, Compound 69::US9045524, 69 Caspase-7 Homo sapiens 1800 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160802&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 67986025 295369560 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304109 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C32H40N4O12S/c1-19(2)28(31(44)33-22(16-26(38)39)13-14-49(3,46)47)36-30(43)24(15-20-9-11-23(37)12-10-20)34-29(42)25(17-27(40)41)35-32(45)48-18-21-7-5-4-6-8-21/h4-14,19,22,24-25,28,37H,15-18H2,1-3H3,(H,33,44)(H,34,42)(H,35,45)(H,36,43)(H,38,39)(H,40,41)/b14-13+/t22-,24+,25+,28+/m1/s1 HIQKYBKHPZKDSE-LJKYIEEGSA-N 160808 US10167313, Compound 76::US9045524, 76 Caspase-7 Homo sapiens 700 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160808&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88542581 295369563 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304110 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C34H42N4O11S/c1-20(2)29(32(44)35-25(17-27(39)40)13-14-50(3,47)48)37-33(45)30(24-15-22-11-7-8-12-23(22)16-24)38-31(43)26(18-28(41)42)36-34(46)49-19-21-9-5-4-6-10-21/h4-14,20,24-26,29-30H,15-19H2,1-3H3,(H,35,44)(H,36,46)(H,37,45)(H,38,43)(H,39,40)(H,41,42)/b14-13+/t25-,26+,29+,30+/m1/s1 UPNDCXMMARFRPM-RNDACTHJSA-N 160790 US10167313, Compound 57::US9045524, 57 Caspase-7 Homo sapiens 200 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160790&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44473416 295369553 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304111 CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O 160819 US10167313, Compound 88::US9045524, 88 Caspase-7 Homo sapiens 1100 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160819&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44520167 295369566 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304112 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C28H38N4O13S/c1-16(2)24(27(41)29-18(13-22(35)36)11-12-46(3,43)44)32-25(39)19(9-10-21(33)34)30-26(40)20(14-23(37)38)31-28(42)45-15-17-7-5-4-6-8-17/h4-8,11-12,16,18-20,24H,9-10,13-15H2,1-3H3,(H,29,41)(H,30,40)(H,31,42)(H,32,39)(H,33,34)(H,35,36)(H,37,38)/b12-11+/t18-,19+,20+,24+/m1/s1 SXHHMPCBHMVLQW-UFEMVYOUSA-N 160792 US10167313, Compound 59::US9045524, 59 Caspase-7 Homo sapiens 40 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160792&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44520166 295369554 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304113 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C19H26N2O7S/c1-13(2)17(21-19(25)28-12-14-7-5-4-6-8-14)18(24)20-15(11-16(22)23)9-10-29(3,26)27/h4-10,13,15,17H,11-12H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/b10-9+/t15-,17+/m1/s1 CCVBKVXTZSDRHL-AMMZPXFLSA-N 160794 US10167313, Compound 61::US9045524, 61 Caspase-7 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160794&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 52948065 295369555 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304114 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)C(C)C InChI=1S/C36H46N4O11S/c1-21(2)31(34(46)37-27(18-29(41)42)14-15-52(49,50)22(3)4)39-35(47)32(26-16-24-12-8-9-13-25(24)17-26)40-33(45)28(19-30(43)44)38-36(48)51-20-23-10-6-5-7-11-23/h5-15,21-22,26-28,31-32H,16-20H2,1-4H3,(H,37,46)(H,38,48)(H,39,47)(H,40,45)(H,41,42)(H,43,44)/b15-14+/t27-,28+,31+,32+/m1/s1 XEWZRZSJGJZHSY-QVZFUARWSA-N 160801 US10167313, Compound 68::US9045524, 68 Caspase-7 Homo sapiens 1500 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160801&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88215480 295369559 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304115 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C36H42N4O10S/c1-23(2)32(35(46)37-24(3)33(44)38-27(21-31(42)43)18-19-51(48,49)29-12-8-5-9-13-29)40-34(45)30(20-25-14-16-28(41)17-15-25)39-36(47)50-22-26-10-6-4-7-11-26/h4-19,23-24,27,30,32,41H,20-22H2,1-3H3,(H,37,46)(H,38,44)(H,39,47)(H,40,45)(H,42,43)/b19-18+/t24-,27+,30-,32-/m0/s1 ZCONVUIWLFTKHH-WOIMJGHISA-N 160827 US10167313, Compound 96::US9045524, 96 Caspase-7 Homo sapiens >10000 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160827&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 70244590 295369568 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304116 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C33H42N4O12S/c1-20(2)29(32(45)34-23(18-28(41)42)15-16-50(3,47)48)37-30(43)25(13-14-27(39)40)35-31(44)26(17-21-9-11-24(38)12-10-21)36-33(46)49-19-22-7-5-4-6-8-22/h4-12,15-16,20,23,25-26,29,38H,13-14,17-19H2,1-3H3,(H,34,45)(H,35,44)(H,36,46)(H,37,43)(H,39,40)(H,41,42)/b16-15+/t23-,25+,26+,29+/m1/s1 CEFXQYILQBZDCM-JNINCFPBSA-N 160813 US10167313, Compound 82::US9045524, 82 Caspase-7 Homo sapiens >5000 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160813&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88216574 295369564 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 304117 COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C)\C=C\S(C)(=O)=O InChI=1S/C33H42N4O11S/c1-21(2)28(31(41)34-24(18-26(38)46-3)16-17-49(5,44)45)36-32(42)29(23-14-10-7-11-15-23)37-30(40)25(19-27(39)47-4)35-33(43)48-20-22-12-8-6-9-13-22/h6-17,21,24-25,28-29H,18-20H2,1-5H3,(H,34,41)(H,35,43)(H,36,42)(H,37,40)/b17-16+/t24-,25+,28+,29+/m1/s1 ZAVOUVXKATZEMZ-IJRWZYHLSA-N 160832 US9045524, 101 Caspase-7 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160832&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88216575 295369569 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50017847 CC(C)C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H26N2O6/c1-13(2)9-17(21(27)24-18-11-20(26)30-22(18)28)23-19(25)12-29-16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18,22,28H,9,11-12H2,1-2H3,(H,23,25)(H,24,27)/t17-,18-,22?/m0/s1 BSVUOPHXZOKMKE-KJMDXERQSA-N 50119203 (S)-4-Methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoic acid ((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::4-Methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL100405 Caspase-7 Homo sapiens 8870 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119203&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331943 104012450 CHEMBL100405 ZINC13819044 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080400 O=C(NCCc1ccccc1)n1sc2ccccc2c1=O InChI=1S/C16H14N2O2S/c19-15-13-8-4-5-9-14(13)21-18(15)16(20)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20) OXBHNTRYFLKEBQ-UHFFFAOYSA-N 50435417 CHEMBL2391912 Caspase-7 Homo sapiens 1050 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435417&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11197291 175447734 CHEMBL2391912 ZINC38355331 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080401 O=c1[nH]sc2ccccc12 InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9) DMSMPAJRVJJAGA-UHFFFAOYSA-N 46658 1,2-benzothiazol-3-one::MLS-0254244.0001::US9011882, Table 1, Compound 20::acs.jmedchem.1c00409_ST.166::cid_17520 Caspase-7 Homo sapiens 137400 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=46658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=46658&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 17520 252627209 167099 ZINC02581983 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080402 O=C(NCc1ccco1)n1sc2ccccc2c1=O InChI=1S/C13H10N2O3S/c16-12-10-5-1-2-6-11(10)19-15(12)13(17)14-8-9-4-3-7-18-9/h1-7H,8H2,(H,14,17) IRBBDJYBNHNLKO-UHFFFAOYSA-N 50002356 CHEMBL3233625 Caspase-7 Homo sapiens 419 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002356&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654525 103916662 CHEMBL3233625 ZINC13731074 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080403 O=C(NCCc1cccs1)n1sc2ccccc2c1=O InChI=1S/C14H12N2O2S2/c17-13-11-5-1-2-6-12(11)20-16(13)14(18)15-8-7-10-4-3-9-19-10/h1-6,9H,7-8H2,(H,15,18) UZQYVRYDJUXDFW-UHFFFAOYSA-N 50002357 CHEMBL3233626 Caspase-7 Homo sapiens 31 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002357&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11150874 103916663 CHEMBL3233626 ZINC49765542 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080404 O=C(Nc1ccccc1N1CCOCC1)n1sc2ccccc2c1=O InChI=1S/C18H17N3O3S/c22-17-13-5-1-4-8-16(13)25-21(17)18(23)19-14-6-2-3-7-15(14)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,23) QIAVLJUPQMHWEU-UHFFFAOYSA-N 50002359 CHEMBL3233628 Caspase-7 Homo sapiens 390 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002359&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654526 103916665 CHEMBL3233628 ZINC03915402 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080405 O=C(Nc1cccc(c1)N1CCOCC1)n1sc2ccccc2c1=O InChI=1S/C18H17N3O3S/c22-17-15-6-1-2-7-16(15)25-21(17)18(23)19-13-4-3-5-14(12-13)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,23) VRYGMTNRJQGMBD-UHFFFAOYSA-N 50002361 CHEMBL3233629 Caspase-7 Homo sapiens 9.4 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002361&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654527 242056095 CHEMBL3233629 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080406 O=C(Nc1ccc(cc1)N1CCOCC1)n1sc2ccccc2c1=O InChI=1S/C18H17N3O3S/c22-17-15-3-1-2-4-16(15)25-21(17)18(23)19-13-5-7-14(8-6-13)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,23) QZFUTELGYWUBNF-UHFFFAOYSA-N 50002362 CHEMBL3233630 Caspase-7 Homo sapiens 909 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002362&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 86279277 103916667 CHEMBL3233630 ZINC27524667 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080408 CN1CCN(CC1)c1cccc(NC(=O)n2sc3ccccc3c2=O)c1 InChI=1S/C19H20N4O2S/c1-21-9-11-22(12-10-21)15-6-4-5-14(13-15)20-19(25)23-18(24)16-7-2-3-8-17(16)26-23/h2-8,13H,9-12H2,1H3,(H,20,25) NTFDHIOBCNIACN-UHFFFAOYSA-N 50002365 CHEMBL3233632 Caspase-7 Homo sapiens 76 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002365&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654529 103916670 CHEMBL3233632 ZINC13731068 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080409 CN1CCN(CC1)c1ccc(NC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C19H20N4O2S/c1-21-10-12-22(13-11-21)15-8-6-14(7-9-15)20-19(25)23-18(24)16-4-2-3-5-17(16)26-23/h2-9H,10-13H2,1H3,(H,20,25) NIUOGTJWGTVIAX-UHFFFAOYSA-N 50002736 CHEMBL3233633 Caspase-7 Homo sapiens 64 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002736&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654530 242056216 CHEMBL3233633 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080410 O=C(Nc1ccc(cc1)N1CCCCC1)n1sc2ccccc2c1=O InChI=1S/C19H19N3O2S/c23-18-16-6-2-3-7-17(16)25-22(18)19(24)20-14-8-10-15(11-9-14)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2,(H,20,24) SDRJBEDGGGSHRS-UHFFFAOYSA-N 50002737 CHEMBL3233634 Caspase-7 Homo sapiens 72 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002737&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654531 242056217 CHEMBL3233634 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080411 O=C(Nc1ccc(cc1)-c1ccccn1)n1sc2ccccc2c1=O InChI=1S/C19H13N3O2S/c23-18-15-5-1-2-7-17(15)25-22(18)19(24)21-14-10-8-13(9-11-14)16-6-3-4-12-20-16/h1-12H,(H,21,24) IXHDMUUZYOETNX-UHFFFAOYSA-N 50002740 CHEMBL3233635 Caspase-7 Homo sapiens 156 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002740&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654532 242056219 CHEMBL3233635 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080412 O=C(Nc1ccc(cc1)C1OCCO1)n1sc2ccccc2c1=O InChI=1S/C17H14N2O4S/c20-15-13-3-1-2-4-14(13)24-19(15)17(21)18-12-7-5-11(6-8-12)16-22-9-10-23-16/h1-8,16H,9-10H2,(H,18,21) OVDOCOVTRJWZLQ-UHFFFAOYSA-N 50002832 CHEMBL3233638 Caspase-7 Homo sapiens 95 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002832&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654540 242056230 CHEMBL3233638 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080413 O=C(NCc1ccc(cc1)N1CCOCC1)n1sc2ccccc2c1=O InChI=1S/C19H19N3O3S/c23-18-16-3-1-2-4-17(16)26-22(18)19(24)20-13-14-5-7-15(8-6-14)21-9-11-25-12-10-21/h1-8H,9-13H2,(H,20,24) KRVFQZVCBHCEDV-UHFFFAOYSA-N 50002741 CHEMBL3233639 Caspase-7 Homo sapiens 248000 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002741&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 86279278 242056220 CHEMBL3233639 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080414 O=C(Nc1ccc(cc1)C(=O)c1ccccc1)n1sc2ccccc2c1=O InChI=1S/C21H14N2O3S/c24-19(14-6-2-1-3-7-14)15-10-12-16(13-11-15)22-21(26)23-20(25)17-8-4-5-9-18(17)27-23/h1-13H,(H,22,26) BILYVLYAAGBKBS-UHFFFAOYSA-N 50002742 CHEMBL3233640 Caspase-7 Homo sapiens 157 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002742&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654533 242056221 CHEMBL3233640 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080415 O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)n1sc2ccccc2c1=O InChI=1S/C18H17N3O5S2/c22-17-15-3-1-2-4-16(15)27-21(17)18(23)19-13-5-7-14(8-6-13)28(24,25)20-9-11-26-12-10-20/h1-8H,9-12H2,(H,19,23) SIPACHZMHZQVBX-UHFFFAOYSA-N 50002743 CHEMBL3233641 Caspase-7 Homo sapiens 4794 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002743&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654534 242056222 CHEMBL3233641 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080416 CN1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C19H20N4O4S2/c1-21-10-12-22(13-11-21)29(26,27)15-8-6-14(7-9-15)20-19(25)23-18(24)16-4-2-3-5-17(16)28-23/h2-9H,10-13H2,1H3,(H,20,25) FZIXMTMBUYOGCV-UHFFFAOYSA-N 50002744 CHEMBL3233642 Caspase-7 Homo sapiens 194 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002744&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654535 242056223 CHEMBL3233642 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080417 O=C(Cn1sc2ccccc2c1=O)Nc1ccc(cc1)N1CCOCC1 InChI=1S/C19H19N3O3S/c23-18(13-22-19(24)16-3-1-2-4-17(16)26-22)20-14-5-7-15(8-6-14)21-9-11-25-12-10-21/h1-8H,9-13H2,(H,20,23) QSDZDLHINZOWBE-UHFFFAOYSA-N 50002745 CHEMBL3233645 Caspase-7 Homo sapiens 100400 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002745&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654536 242056224 CHEMBL3233645 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080418 O=C(Cn1sc2ccccc2c1=O)Nc1ccc(cc1)N1CCCCC1 InChI=1S/C20H21N3O2S/c24-19(14-23-20(25)17-6-2-3-7-18(17)26-23)21-15-8-10-16(11-9-15)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,24) PJCQDVFILAKEMG-UHFFFAOYSA-N 50002748 CHEMBL3233646 Caspase-7 Homo sapiens 2590 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002748&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654537 242056227 CHEMBL3233646 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080419 O=C(Cn1sc2ccccc2c1=O)Nc1ccc(cc1)-c1ccccn1 InChI=1S/C20H15N3O2S/c24-19(13-23-20(25)16-5-1-2-7-18(16)26-23)22-15-10-8-14(9-11-15)17-6-3-4-12-21-17/h1-12H,13H2,(H,22,24) QLVAHCHYICCOMF-UHFFFAOYSA-N 50002749 CHEMBL3233647 Caspase-7 Homo sapiens 1350 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002749&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654538 242056228 CHEMBL3233647 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080420 O=C(Cn1sc2ccccc2c1=O)Nc1ccc(cc1)-n1cccc1 InChI=1S/C19H15N3O2S/c23-18(13-22-19(24)16-5-1-2-6-17(16)25-22)20-14-7-9-15(10-8-14)21-11-3-4-12-21/h1-12H,13H2,(H,20,23) SJUXHCSNSGLKJD-UHFFFAOYSA-N 50002821 CHEMBL3233648 Caspase-7 Homo sapiens 6070 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002821&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654539 242056229 CHEMBL3233648 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50080407 CN1CCN(CC1)c1ccccc1NC(=O)n1sc2ccccc2c1=O InChI=1S/C19H20N4O2S/c1-21-10-12-22(13-11-21)16-8-4-3-7-15(16)20-19(25)23-18(24)14-6-2-5-9-17(14)26-23/h2-9H,10-13H2,1H3,(H,20,25) UDLCAAPHUXGYDD-UHFFFAOYSA-N 50002364 CHEMBL3233631 Caspase-7 Homo sapiens 638 ChEMBL 10.1016/j.bmc.2014.03.002 10.7270/Q2J38V2W 24656804 Wu, L; Lu, M; Yan, Z; Tang, X; Sun, B; Liu, W; Zhou, H; Yang, C Tianjin University of Science and Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002364&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 90654528 103916669 CHEMBL3233631 ZINC49899075 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215551 CC(C)C[C@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C18H24N2O6/c1-11(2)8-13(17(23)20-14-9-16(22)26-18(14)24)19-15(21)10-25-12-6-4-3-5-7-12/h3-7,11,13-14,18,24H,8-10H2,1-2H3,(H,19,21)(H,20,23)/t13-,14-,18?/m0/s1 JDGCYXDEIIJQIN-QPKCZYJBSA-N 50119207 4-Methyl-2-(2-phenoxy-acetylamino)-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL100741 Caspase-7 Homo sapiens >10000 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119207&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331676 104012454 CHEMBL100741 ZINC13819203 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215559 COc1ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC(=O)OC2O)c2ccccc12 InChI=1S/C23H28N2O7/c1-13(2)10-16(22(28)25-17-11-21(27)32-23(17)29)24-20(26)12-31-19-9-8-18(30-3)14-6-4-5-7-15(14)19/h4-9,13,16-17,23,29H,10-12H2,1-3H3,(H,24,26)(H,25,28)/t16-,17-,23?/m0/s1 XXQCRRRNRLLOKC-UYHNVOLQSA-N 50119214 2-[2-(4-Methoxy-naphthalen-1-yloxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL100114 Caspase-7 Homo sapiens 4080 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119214&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331567 104012461 CHEMBL100114 ZINC13819151 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215561 CC(C)C[C@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C24H30N2O5/c1-15(2)12-19(23(29)26-20-14-22(28)31-24(20)30)25-21(27)9-5-6-16-10-11-17-7-3-4-8-18(17)13-16/h3-4,7-8,10-11,13,15,19-20,24,30H,5-6,9,12,14H2,1-2H3,(H,25,27)(H,26,29)/t19-,20-,24?/m0/s1 FQPDLFQJGSURHC-ZRENRBBTSA-N 50119210 4-Methyl-2-(4-naphthalen-2-yl-butyrylamino)-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL100769 Caspase-7 Homo sapiens 18200 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119210&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332128 104012457 CHEMBL100769 ZINC13819110 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215562 CC(C)C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H26N2O6/c1-13(2)9-17(21(27)24-18-11-20(26)30-22(18)28)23-19(25)12-29-16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18,22,28H,9,11-12H2,1-2H3,(H,23,25)(H,24,27)/t17-,18-,22?/m0/s1 BSVUOPHXZOKMKE-KJMDXERQSA-N 50119203 (S)-4-Methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoic acid ((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::4-Methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL100405 Caspase-7 Homo sapiens 8870.0 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119203&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331943 104012450 CHEMBL100405 ZINC13819044 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215568 CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H31N3O9/c1-13(2)10-16(21(31)25-17-11-19(29)35-22(17)32)24-20(30)15(8-9-18(27)28)26-23(33)34-12-14-6-4-3-5-7-14/h3-7,13,15-17,22,32H,8-12H2,1-2H3,(H,24,30)(H,25,31)(H,26,33)(H,27,28)/t15-,16-,17-,22?/m0/s1 NETBIBQTHPVZHP-FGJWLUJVSA-N 50119218 4-Benzyloxycarbonylamino-4-[1-(2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL100588 Caspase-7 Homo sapiens 10 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119218&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331910 104012465 CHEMBL100588 ZINC13819025 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215569 CC(C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H26N2O5S/c1-13(2)9-17(21(27)24-18-11-20(26)29-22(18)28)23-19(25)12-30-16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18,22,28H,9,11-12H2,1-2H3,(H,23,25)(H,24,27)/t17-,18-,22?/m0/s1 BVAULMYVOSWSBQ-KJMDXERQSA-N 50119219 4-Methyl-2-[2-(naphthalen-2-ylsulfanyl)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL329940 Caspase-7 Homo sapiens 2520 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119219&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332129 104012466 CHEMBL329940 ZINC13819105 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215571 CC(C)C[C@H](NC(=O)COc1ccccc1OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C25H30N2O7/c1-16(2)12-18(24(30)27-19-13-23(29)34-25(19)31)26-22(28)15-33-21-11-7-6-10-20(21)32-14-17-8-4-3-5-9-17/h3-11,16,18-19,25,31H,12-15H2,1-2H3,(H,26,28)(H,27,30)/t18-,19-,25?/m0/s1 UVNUKWQAHJOJOZ-NHDFCTKWSA-N 50119220 2-[2-(2-Benzyloxy-phenoxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL101141 Caspase-7 Homo sapiens 2200 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119220&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332050 104012467 CHEMBL101141 ZINC13819242 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215582 CC(C)C[C@H](Nc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C16H22N2O4/c1-10(2)8-12(17-11-6-4-3-5-7-11)15(20)18-13-9-14(19)22-16(13)21/h3-7,10,12-13,16-17,21H,8-9H2,1-2H3,(H,18,20)/t12-,13-,16?/m0/s1 LAYUGMDWVAZXNL-VORVDWIASA-N 50119229 4-Methyl-2-phenylamino-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL317530 Caspase-7 Homo sapiens >10000 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119229&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331966 104012476 CHEMBL317530 ZINC13819193 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215585 CC(C)C[C@H](NC(=O)COc1ccc2CCCCc2c1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H30N2O6/c1-13(2)9-17(21(27)24-18-11-20(26)30-22(18)28)23-19(25)12-29-16-8-7-14-5-3-4-6-15(14)10-16/h7-8,10,13,17-18,22,28H,3-6,9,11-12H2,1-2H3,(H,23,25)(H,24,27)/t17-,18-,22?/m0/s1 NPETVIGHYFRZJN-KJMDXERQSA-N 50119213 4-Methyl-2-[2-(5,6,7,8-tetrahydro-naphthalen-2-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL321546 Caspase-7 Homo sapiens 2310 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119213&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331739 104012460 CHEMBL321546 ZINC13819279 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215593 CC(C)C[C@H](NC(=O)COc1nccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C21H25N3O6/c1-12(2)9-15(19(27)24-16-10-18(26)30-21(16)28)23-17(25)11-29-20-14-6-4-3-5-13(14)7-8-22-20/h3-8,12,15-16,21,28H,9-11H2,1-2H3,(H,23,25)(H,24,27)/t15-,16-,21?/m0/s1 XIXLDPQKLDUHOJ-MBFMUOJQSA-N 50119225 2-[2-(Isoquinolin-1-yloxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL100578 Caspase-7 Homo sapiens 34700 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119225&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332029 104012472 CHEMBL100578 ZINC13819167 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215599 CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H26N2O6/c1-13(2)10-16(21(27)24-17-11-20(26)30-22(17)28)23-19(25)12-29-18-9-5-7-14-6-3-4-8-15(14)18/h3-9,13,16-17,22,28H,10-12H2,1-2H3,(H,23,25)(H,24,27)/t16-,17-,22?/m0/s1 UVJNVVPTQWFZMT-ASCMOBCVSA-N 50119234 4-Methyl-2-[2-(naphthalen-1-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::4-Methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL318386 Caspase-7 Homo sapiens 1810 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119234&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 10001828 104012481 CHEMBL318386 ZINC13819069 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215611 CC(C)C[C@H](NC(=O)CCOc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H28N2O6/c1-14(2)12-17(22(28)25-18-13-21(27)31-23(18)29)24-20(26)10-11-30-19-9-5-7-15-6-3-4-8-16(15)19/h3-9,14,17-18,23,29H,10-13H2,1-2H3,(H,24,26)(H,25,28)/t17-,18-,23?/m0/s1 WIYBIQZLIVGWQF-JOHXPNBHSA-N 50119238 4-Methyl-2-[3-(naphthalen-1-yloxy)-propionylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL102901 Caspase-7 Homo sapiens 1370 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119238&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332330 104012485 CHEMBL102901 ZINC13819126 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215624 CC(C)C[C@H](NC(=O)COc1ccccc1C1CCCC1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H32N2O6/c1-14(2)11-17(22(28)25-18-12-21(27)31-23(18)29)24-20(26)13-30-19-10-6-5-9-16(19)15-7-3-4-8-15/h5-6,9-10,14-15,17-18,23,29H,3-4,7-8,11-13H2,1-2H3,(H,24,26)(H,25,28)/t17-,18-,23?/m0/s1 ZUMYWWOOYMHLPE-JOHXPNBHSA-N 50119226 2-[2-(2-Cyclopentyl-phenoxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL321074 Caspase-7 Homo sapiens 1490 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119226&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331815 104012473 CHEMBL321074 ZINC13819254 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215626 CC(C)C[C@H](NC(=O)COc1cccc2ncccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C21H25N3O6/c1-12(2)9-15(20(27)24-16-10-19(26)30-21(16)28)23-18(25)11-29-17-7-3-6-14-13(17)5-4-8-22-14/h3-8,12,15-16,21,28H,9-11H2,1-2H3,(H,23,25)(H,24,27)/t15-,16-,21?/m0/s1 UIBVGCZFIFUINI-MBFMUOJQSA-N 50119215 4-Methyl-2-[2-(quinolin-5-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL318295 Caspase-7 Homo sapiens 3850 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119215&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332121 104012462 CHEMBL318295 ZINC13819178 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215628 CC(C)C[C@H](NC(=O)CSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H26N2O5S/c1-13(2)10-16(21(27)24-17-11-20(26)29-22(17)28)23-19(25)12-30-18-9-5-7-14-6-3-4-8-15(14)18/h3-9,13,16-17,22,28H,10-12H2,1-2H3,(H,23,25)(H,24,27)/t16-,17-,22?/m0/s1 METZBKHOGNFONR-ASCMOBCVSA-N 50119228 4-Methyl-2-[2-(naphthalen-1-ylsulfanyl)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL318312 Caspase-7 Homo sapiens 1740 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119228&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332108 104012475 CHEMBL318312 ZINC13819100 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215631 CC(C)C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H26N2O5/c1-13(2)10-17(21(27)24-18-12-20(26)29-22(18)28)23-19(25)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17-18,22,28H,10-12H2,1-2H3,(H,23,25)(H,24,27)/t17-,18-,22?/m0/s1 PQLCRZRLEMXTBT-KJMDXERQSA-N 50119212 4-Methyl-2-(2-naphthalen-1-yl-acetylamino)-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL318791 Caspase-7 Homo sapiens 7270.0 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119212&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331933 104012459 CHEMBL318791 ZINC13819061 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215635 CC(C)C[C@H](NC(=O)CCc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H28N2O5/c1-14(2)12-18(22(28)25-19-13-21(27)30-23(19)29)24-20(26)11-10-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18-19,23,29H,10-13H2,1-2H3,(H,24,26)(H,25,28)/t18-,19-,23?/m0/s1 KYJHBJPEBQLNOM-GVLQVIKUSA-N 50119249 4-Methyl-2-(3-naphthalen-1-yl-propionylamino)-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL101448 Caspase-7 Homo sapiens 8770 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119249&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332004 104012496 CHEMBL101448 ZINC13819073 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215637 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C19H28N4O11/c1-7(2)13(16(29)22-10-6-12(27)34-19(10)33)23-15(28)9(4-5-11(25)26)21-17(30)14(18(31)32)20-8(3)24/h7,9-10,13-14,19,33H,4-6H2,1-3H3,(H,20,24)(H,21,30)(H,22,29)(H,23,28)(H,25,26)(H,31,32)/t9-,10-,13-,14+,19?/m0/s1 INEQQSYFBJJTKI-FQAXKGDYSA-N 50119245 4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-2-methyl-propylcarbamoyl]-butyric acid::CHEMBL328412 Caspase-7 Homo sapiens 10 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119245&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331942 104012492 CHEMBL328412 C02847 ZINC26749168 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215638 CC(C)C[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C24H28N2O5/c1-15(2)12-19(23(29)26-20-14-22(28)31-24(20)30)25-21(27)13-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19-20,24,30H,12-14H2,1-2H3,(H,25,27)(H,26,29)/t19-,20-,24?/m0/s1 JSXUSWTTXWMCJW-ZRENRBBTSA-N 50119246 2-(2-Biphenyl-4-yl-acetylamino)-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL433416 Caspase-7 Homo sapiens >10000 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119246&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331908 104012493 CHEMBL433416 ZINC13819050 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215640 CC(C)C[C@H](NC(=O)CC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H26N2O6/c1-13(2)9-17(22(29)25-18-11-21(28)31-23(18)30)24-20(27)12-19(26)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18,23,30H,9,11-12H2,1-2H3,(H,24,27)(H,25,29)/t17-,18-,23?/m0/s1 YWBHFKDQAJYPNQ-JOHXPNBHSA-N 50119248 4-Methyl-2-(3-naphthalen-2-yl-3-oxo-propionylamino)-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL317796 Caspase-7 Homo sapiens 7430.0 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119248&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332331 104012495 CHEMBL317796 ZINC26752319 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215645 CC(C)C[C@H](NC(=O)COc1ccc(cc1)-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C24H28N2O6/c1-15(2)12-19(23(29)26-20-13-22(28)32-24(20)30)25-21(27)14-31-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19-20,24,30H,12-14H2,1-2H3,(H,25,27)(H,26,29)/t19-,20-,24?/m0/s1 LHQCOKQWWLEOQS-ZRENRBBTSA-N 50119206 2-[2-(Biphenyl-4-yloxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL101442 Caspase-7 Homo sapiens 12000 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119206&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331580 104012453 CHEMBL101442 ZINC13819220 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215646 CC(C)C[C@H](NC(=O)COc1ccnc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C21H25N3O6/c1-12(2)9-15(20(27)24-16-10-19(26)30-21(16)28)23-18(25)11-29-17-7-8-22-14-6-4-3-5-13(14)17/h3-8,12,15-16,21,28H,9-11H2,1-2H3,(H,23,25)(H,24,27)/t15-,16-,21?/m0/s1 MMLSITAQXAJIKI-MBFMUOJQSA-N 50119251 4-Methyl-2-[2-(quinolin-4-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL100927 Caspase-7 Homo sapiens 4570 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119251&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332028 104012498 CHEMBL100927 ZINC13819173 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215654 CC(C)C[C@H](NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C28H38N2O6/c1-16(2)7-22(26(33)30-23-11-25(32)36-27(23)34)29-24(31)15-35-21-5-3-20(4-6-21)28-12-17-8-18(13-28)10-19(9-17)14-28/h3-6,16-19,22-23,27,34H,7-15H2,1-2H3,(H,29,31)(H,30,33)/t17?,18?,19?,22-,23-,27?,28?/m0/s1 XYCUMHUELFVFMY-VHKWFSQNSA-N 50119221 2-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL418983 Caspase-7 Homo sapiens 8240.0 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119221&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331987 104012468 CHEMBL418983 ZINC13819271 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215657 CC(C)C[C@H](NC(=O)CCSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H28N2O5S/c1-14(2)11-18(22(28)25-19-13-21(27)30-23(19)29)24-20(26)9-10-31-17-8-7-15-5-3-4-6-16(15)12-17/h3-8,12,14,18-19,23,29H,9-11,13H2,1-2H3,(H,24,26)(H,25,28)/t18-,19-,23?/m0/s1 NERMQYMDDXNPRD-GVLQVIKUSA-N 50119204 4-Methyl-2-[3-(naphthalen-2-ylsulfanyl)-propionylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL101728 Caspase-7 Homo sapiens 5890 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119204&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331577 104012451 CHEMBL101728 ZINC13819140 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215667 CC(C)C[C@H](NC(=O)COc1c(Cl)cc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H24Cl2N2O6/c1-11(2)7-16(21(29)26-17-9-19(28)32-22(17)30)25-18(27)10-31-20-13-6-4-3-5-12(13)14(23)8-15(20)24/h3-6,8,11,16-17,22,30H,7,9-10H2,1-2H3,(H,25,27)(H,26,29)/t16-,17-,22?/m0/s1 NCLFPGSWIDLTSV-ASCMOBCVSA-N 50119223 2-[2-(2,4-Dichloro-naphthalen-1-yloxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL100409 Caspase-7 Homo sapiens 3610 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119223&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331565 104012470 CHEMBL100409 ZINC13819162 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215668 CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C21H24N2O5/c1-12(2)9-16(20(26)23-17-11-18(24)28-21(17)27)22-19(25)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,12,16-17,21,27H,9,11H2,1-2H3,(H,22,25)(H,23,26)/t16-,17-,21?/m0/s1 HLWBCBXXQHEMJA-MVWJYJSVSA-N 50119243 CHEMBL101220::Naphthalene-2-carboxylic acid [1-(2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butyl]-amide Caspase-7 Homo sapiens >10000 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119243&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331879 104012490 CHEMBL101220 ZINC13819058 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215672 CC(C)C[C@H](NC(=O)COc1cccc(c1)-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C24H28N2O6/c1-15(2)11-19(23(29)26-20-13-22(28)32-24(20)30)25-21(27)14-31-18-10-6-9-17(12-18)16-7-4-3-5-8-16/h3-10,12,15,19-20,24,30H,11,13-14H2,1-2H3,(H,25,27)(H,26,29)/t19-,20-,24?/m0/s1 LAWFAGGDPUZLKP-ZRENRBBTSA-N 50119235 2-[2-(Biphenyl-3-yloxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL99680 Caspase-7 Homo sapiens 3750 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119235&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331674 104012482 CHEMBL99680 ZINC13819214 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215675 CC(C)C[C@H](NC(=O)COc1ccc(cc1)C1CCCC1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H32N2O6/c1-14(2)11-18(22(28)25-19-12-21(27)31-23(19)29)24-20(26)13-30-17-9-7-16(8-10-17)15-5-3-4-6-15/h7-10,14-15,18-19,23,29H,3-6,11-13H2,1-2H3,(H,24,26)(H,25,28)/t18-,19-,23?/m0/s1 UNPCCXYBLKSDAQ-GVLQVIKUSA-N 50119224 2-[2-(4-Cyclopentyl-phenoxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL99999 Caspase-7 Homo sapiens 5230 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119224&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332078 104012471 CHEMBL99999 ZINC13819260 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215679 CC(C)C[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C25H30N2O7/c1-16(2)12-20(24(30)27-21-13-23(29)34-25(21)31)26-22(28)15-33-19-10-8-18(9-11-19)32-14-17-6-4-3-5-7-17/h3-11,16,20-21,25,31H,12-15H2,1-2H3,(H,26,28)(H,27,30)/t20-,21-,25?/m0/s1 BFPUIOQNJUXNHM-ZLTNKZLJSA-N 50119252 2-[2-(4-Benzyloxy-phenoxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL100788 Caspase-7 Homo sapiens 7250 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119252&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331816 104012499 CHEMBL100788 ZINC13819248 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215685 CC(C)C[C@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C24H28N2O6/c1-15(2)12-18(23(29)26-19-13-22(28)32-24(19)30)25-21(27)14-31-20-11-7-6-10-17(20)16-8-4-3-5-9-16/h3-11,15,18-19,24,30H,12-14H2,1-2H3,(H,25,27)(H,26,29)/t18-,19-,24?/m0/s1 RVUPUUXSFOLOAS-QHEXFSSWSA-N 50119209 2-[2-(Biphenyl-2-yloxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL99681 Caspase-7 Homo sapiens 2020 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119209&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331675 104012456 CHEMBL99681 ZINC13819208 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215686 CC(C)C[C@H](NC(=O)COc1c(C)ccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H28N2O6/c1-13(2)10-17(22(28)25-18-11-20(27)31-23(18)29)24-19(26)12-30-21-14(3)8-9-15-6-4-5-7-16(15)21/h4-9,13,17-18,23,29H,10-12H2,1-3H3,(H,24,26)(H,25,28)/t17-,18-,23?/m0/s1 PKCZPKXBVIXOLU-JOHXPNBHSA-N 50119239 4-Methyl-2-[2-(2-methyl-naphthalen-1-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL103820 Caspase-7 Homo sapiens 4160.0 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119239&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331552 104012486 CHEMBL103820 ZINC13819146 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215687 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C27H33N3O7/c1-17(2)13-20(24(32)29-22-15-23(31)37-26(22)34)28-25(33)21(14-18-9-5-3-6-10-18)30-27(35)36-16-19-11-7-4-8-12-19/h3-12,17,20-22,26,34H,13-16H2,1-2H3,(H,28,33)(H,29,32)(H,30,35)/t20-,21-,22-,26?/m0/s1 NHIDZXMAMOZUNW-GAUDMLSGSA-N 50119233 CHEMBL101835::{1-[1-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butylcarbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester Caspase-7 Homo sapiens 680.0 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119233&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331830 104012480 CHEMBL101835 ZINC13819030 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215696 CC(C)C[C@H](NC(=O)\C=C\c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C19H24N2O5/c1-12(2)10-14(18(24)21-15-11-17(23)26-19(15)25)20-16(22)9-8-13-6-4-3-5-7-13/h3-9,12,14-15,19,25H,10-11H2,1-2H3,(H,20,22)(H,21,24)/b9-8+/t14-,15-,19?/m0/s1 IQUVUZFLISFKHB-DXLHLIRXSA-N 50119250 (S)-4-Methyl-2-(3-phenyl-acryloylamino)-pentanoic acid ((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL101644 Caspase-7 Homo sapiens 9720.0 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119250&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332051 104012497 CHEMBL101644 ZINC26746073 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215698 CC(C)C[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C21H25N3O6/c1-12(2)8-15(20(27)24-16-9-19(26)30-21(16)28)23-18(25)11-29-17-5-3-4-13-10-22-7-6-14(13)17/h3-7,10,12,15-16,21,28H,8-9,11H2,1-2H3,(H,23,25)(H,24,27)/t15-,16-,21?/m0/s1 QFKHZABETHFMHQ-MBFMUOJQSA-N 50119244 2-[2-(Isoquinolin-5-yloxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL101684 Caspase-7 Homo sapiens 3480 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119244&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332120 104012491 CHEMBL101684 ZINC13819183 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215699 CC(C)C[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C21H24N2O5/c1-12(2)10-16(20(26)23-17-11-18(24)28-21(17)27)22-19(25)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16-17,21,27H,10-11H2,1-2H3,(H,22,25)(H,23,26)/t16-,17-,21?/m0/s1 MYFXNPRKKPNIEX-MVWJYJSVSA-N 50119242 CHEMBL100801::Naphthalene-1-carboxylic acid [1-(2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butyl]-amide Caspase-7 Homo sapiens >10000 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119242&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331944 104012489 CHEMBL100801 ZINC13819054 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215705 CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)C[C@H]1CC(=O)OC1O InChI=1S/C18H23NO6/c1-11(2)16(14(20)8-13-9-15(21)25-17(13)22)19-18(23)24-10-12-6-4-3-5-7-12/h3-7,11,13,16-17,22H,8-10H2,1-2H3,(H,19,23)/t13-,16+,17?/m0/s1 XRRXSTWFJPJINX-XVMZJDAESA-N 50119211 CHEMBL100933::[(R)-3-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-yl)-1-isopropyl-2-oxo-propyl]-carbamic acid benzyl ester Caspase-7 Homo sapiens 6810 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119211&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331964 104012458 CHEMBL100933 ZINC26744040 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215715 CC(C)C[C@H](NC(=O)CCOc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C19H26N2O6/c1-12(2)10-14(18(24)21-15-11-17(23)27-19(15)25)20-16(22)8-9-26-13-6-4-3-5-7-13/h3-7,12,14-15,19,25H,8-11H2,1-2H3,(H,20,22)(H,21,24)/t14-,15-,19?/m0/s1 SWFLTQBMIJVLEP-YIYRCGFGSA-N 50119217 4-Methyl-2-(3-phenoxy-propionylamino)-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL101714 Caspase-7 Homo sapiens 6040 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119217&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331693 104012464 CHEMBL101714 ZINC13819198 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215718 CC(C)C[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H25ClN2O6/c1-12(2)9-16(21(28)25-17-10-20(27)31-22(17)29)24-19(26)11-30-18-8-7-15(23)13-5-3-4-6-14(13)18/h3-8,12,16-17,22,29H,9-11H2,1-2H3,(H,24,26)(H,25,28)/t16-,17-,22?/m0/s1 QLHHECDAKBHQND-ASCMOBCVSA-N 50119230 2-[2-(4-Chloro-naphthalen-1-yloxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL420458 Caspase-7 Homo sapiens 3380 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119230&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331566 104012477 CHEMBL420458 ZINC13819156 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215719 CC(C)C[C@H](NC(=O)C(C)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H28N2O6/c1-13(2)11-17(22(28)25-18-12-20(26)31-23(18)29)24-21(27)14(3)30-19-10-6-8-15-7-4-5-9-16(15)19/h4-10,13-14,17-18,23,29H,11-12H2,1-3H3,(H,24,27)(H,25,28)/t14?,17-,18-,23?/m0/s1 LSTJJGABMCAEID-PNDQWXMRSA-N 50119232 4-Methyl-2-[2-(naphthalen-1-yloxy)-propionylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL103592 Caspase-7 Homo sapiens 1320 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119232&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332024 104012479 CHEMBL103592 ZINC13819085 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215726 CC(C)C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C25H30N2O6/c1-16(2)12-19(24(30)27-20-14-23(29)33-25(20)31)26-22(28)15-32-21-11-7-6-10-18(21)13-17-8-4-3-5-9-17/h3-11,16,19-20,25,31H,12-15H2,1-2H3,(H,26,28)(H,27,30)/t19-,20-,25?/m0/s1 YMYGKHWZVMKILN-QGGGIAGFSA-N 50119236 2-[2-(2-Benzyl-phenoxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL102005 Caspase-7 Homo sapiens 3360 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119236&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331579 104012483 CHEMBL102005 ZINC13819225 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215736 CC(C)C[C@H](NC(=O)C(C)Oc1cccc2cc(Br)ccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H27BrN2O6/c1-12(2)9-17(22(29)26-18-11-20(27)32-23(18)30)25-21(28)13(3)31-19-6-4-5-14-10-15(24)7-8-16(14)19/h4-8,10,12-13,17-18,23,30H,9,11H2,1-3H3,(H,25,28)(H,26,29)/t13?,17-,18-,23?/m0/s1 HFRMGMUQOMNLHR-ISGSGWSNSA-N 50119205 2-[2-(6-Bromo-naphthalen-1-yloxy)-propionylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL317782 Caspase-7 Homo sapiens 32400.0 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119205&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332109 104012452 CHEMBL317782 ZINC13819095 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215743 CC(C)C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H26N2O5/c1-13(2)9-17(21(27)24-18-12-20(26)29-22(18)28)23-19(25)11-14-7-8-15-5-3-4-6-16(15)10-14/h3-8,10,13,17-18,22,28H,9,11-12H2,1-2H3,(H,23,25)(H,24,27)/t17-,18-,22?/m0/s1 YVSKXYRRWPMEKU-KJMDXERQSA-N 50119231 4-Methyl-2-(2-naphthalen-2-yl-acetylamino)-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL101108 Caspase-7 Homo sapiens >10000 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119231&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331876 104012478 CHEMBL101108 ZINC13819064 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215744 CC(C)C[C@H](NC(=O)CC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H26N2O6/c1-13(2)10-17(22(29)25-18-11-21(28)31-23(18)30)24-20(27)12-19(26)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,17-18,23,30H,10-12H2,1-2H3,(H,24,27)(H,25,29)/t17-,18-,23?/m0/s1 KGHGMUBHFANXGE-JOHXPNBHSA-N 50119240 4-Methyl-2-(3-naphthalen-1-yl-3-oxo-propionylamino)-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL318887 Caspase-7 Homo sapiens 11300 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119240&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332332 104012487 CHEMBL318887 ZINC26752716 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215745 CC(C)C[C@H](NC(=O)COc1ccc(C)cc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C29H40N2O6/c1-16(2)6-22(27(34)31-23-11-26(33)37-28(23)35)30-25(32)15-36-24-5-4-17(3)7-21(24)29-12-18-8-19(13-29)10-20(9-18)14-29/h4-5,7,16,18-20,22-23,28,35H,6,8-15H2,1-3H3,(H,30,32)(H,31,34)/t18?,19?,20?,22-,23-,28?,29?/m0/s1 BHKJFXIFSPGOKG-IWFAQAQTSA-N 50119222 2-[2-(2-Adamantan-1-yl-4-methyl-phenoxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL319554 Caspase-7 Homo sapiens 2790 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119222&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332058 104012469 CHEMBL319554 ZINC13819265 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215751 CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)C[C@H]1CC(=O)OC1O InChI=1S/C19H25NO6/c1-12(2)8-15(16(21)9-14-10-17(22)26-18(14)23)20-19(24)25-11-13-6-4-3-5-7-13/h3-7,12,14-15,18,23H,8-11H2,1-2H3,(H,20,24)/t14-,15+,18?/m0/s1 CTJZWSVZYAAOKF-DYNVDGSKSA-N 50119241 CHEMBL319251::{(R)-1-[2-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-yl)-acetyl]-3-methyl-butyl}-carbamic acid benzyl ester Caspase-7 Homo sapiens 21900 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119241&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331963 104012488 CHEMBL319251 ZINC26744030 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215753 CC(C)C[C@H](NC(=O)COc1cccc2CCCCc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H30N2O6/c1-13(2)10-16(21(27)24-17-11-20(26)30-22(17)28)23-19(25)12-29-18-9-5-7-14-6-3-4-8-15(14)18/h5,7,9,13,16-17,22,28H,3-4,6,8,10-12H2,1-2H3,(H,23,25)(H,24,27)/t16-,17-,22?/m0/s1 USVMISOISDWWBE-ASCMOBCVSA-N 50119247 4-Methyl-2-[2-(5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL318035 Caspase-7 Homo sapiens 2740 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119247&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331740 104012494 CHEMBL318035 ZINC13819275 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215764 CC(C)C[C@H](NC(=O)COc1cccc2cccnc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C21H25N3O6/c1-12(2)9-14(20(27)24-15-10-18(26)30-21(15)28)23-17(25)11-29-16-7-3-5-13-6-4-8-22-19(13)16/h3-8,12,14-15,21,28H,9-11H2,1-2H3,(H,23,25)(H,24,27)/t14-,15-,21?/m0/s1 MAEZMWCQFNXHGN-CJUKTHODSA-N 50119216 4-Methyl-2-[2-(quinolin-8-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL101341 Caspase-7 Homo sapiens 1510 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119216&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331967 104012463 CHEMBL101341 ZINC13819189 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215774 CC(C)C[C@H](NC(=O)CCSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H28N2O5S/c1-14(2)12-17(22(28)25-18-13-21(27)30-23(18)29)24-20(26)10-11-31-19-9-5-7-15-6-3-4-8-16(15)19/h3-9,14,17-18,23,29H,10-13H2,1-2H3,(H,24,26)(H,25,28)/t17-,18-,23?/m0/s1 DOIAAMNEXGWYFQ-JOHXPNBHSA-N 50119253 4-Methyl-2-[3-(naphthalen-1-ylsulfanyl)-propionylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL316465 Caspase-7 Homo sapiens 3600 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119253&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332026 104012500 CHEMBL316465 ZINC13819135 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215795 CC(C)C[C@H](NC(=O)COc1ccc(Cc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C25H30N2O6/c1-16(2)12-20(24(30)27-21-14-23(29)33-25(21)31)26-22(28)15-32-19-10-8-18(9-11-19)13-17-6-4-3-5-7-17/h3-11,16,20-21,25,31H,12-15H2,1-2H3,(H,26,28)(H,27,30)/t20-,21-,25?/m0/s1 AEXPADQHSRNWGZ-ZLTNKZLJSA-N 50119227 2-[2-(4-Benzyl-phenoxy)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL322183 Caspase-7 Homo sapiens 4410 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119227&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331578 104012474 CHEMBL322183 ZINC13819231 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215796 CC(C)C[C@H](NC(=O)CCOc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H28N2O6/c1-14(2)11-18(22(28)25-19-13-21(27)31-23(19)29)24-20(26)9-10-30-17-8-7-15-5-3-4-6-16(15)12-17/h3-8,12,14,18-19,23,29H,9-11,13H2,1-2H3,(H,24,26)(H,25,28)/t18-,19-,23?/m0/s1 DAFOUBUJNBLQIH-GVLQVIKUSA-N 50119237 4-Methyl-2-[3-(naphthalen-2-yloxy)-propionylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL100802 Caspase-7 Homo sapiens 9650 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119237&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332093 104012484 CHEMBL100802 ZINC13819131 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215804 CC(C)C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C24H28N2O7/c1-15(2)12-19(23(29)26-20-13-22(28)33-24(20)30)25-21(27)14-31-16-8-10-18(11-9-16)32-17-6-4-3-5-7-17/h3-11,15,19-20,24,30H,12-14H2,1-2H3,(H,25,27)(H,26,29)/t19-,20-,24?/m0/s1 YPDLHOCWYZLMQS-ZRENRBBTSA-N 50119208 4-Methyl-2-[2-(4-phenoxy-phenoxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL102154 Caspase-7 Homo sapiens 6820.0 ChEMBL 10.1016/s0960-894x(02)00629-7 10.7270/Q289157S 12270185 Linton, SD; Karanewsky, DS; Ternansky, RJ; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119208&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332068 104012455 CHEMBL102154 ZINC13819236 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215805 CC(C)C(NC(=O)COc1ccc2ccccc2c1C(O)=O)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H24N2O8/c1-11(2)19(20(27)23-14-9-17(26)32-22(14)30)24-16(25)10-31-15-8-7-12-5-3-4-6-13(12)18(15)21(28)29/h3-8,11,14,19,22,30H,9-10H2,1-2H3,(H,23,27)(H,24,25)(H,28,29)/t14-,19?,22?/m0/s1 ASGHIPSJIOETFI-YGXOJQJDSA-N 50119256 2-{[1-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-propylcarbamoyl]-methoxy}-naphthalene-1-carboxylic acid::CHEMBL327298 Caspase-7 Homo sapiens 10900 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119256&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331977 104012503 CHEMBL327298 ZINC26749695 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215816 CC(C)CC(NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H27N3O5/c1-13(2)10-17(21(28)25-18-11-20(27)30-22(18)29)24-19(26)12-23-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,17-18,22-23,29H,10-12H2,1-2H3,(H,24,26)(H,25,28)/t17?,18-,22?/m0/s1 NUEXSSWTCJYNJY-DKTYTTGXSA-N 50119262 4-Methyl-2-[2-(naphthalen-1-ylamino)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL322631 Caspase-7 Homo sapiens 1320 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119262&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332311 104012509 CHEMBL322631 ZINC26816891 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215817 CC(C)CC(NC(=O)C(C)Nc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H29N3O5/c1-13(2)11-18(22(29)26-19-12-20(27)31-23(19)30)25-21(28)14(3)24-17-10-6-8-15-7-4-5-9-16(15)17/h4-10,13-14,18-19,23-24,30H,11-12H2,1-3H3,(H,25,28)(H,26,29)/t14?,18?,19-,23?/m0/s1 HHHCHMWEUVMQER-ITHSZLMBSA-N 50119261 4-Methyl-2-[2-(naphthalen-1-ylamino)-propionylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL102046 Caspase-7 Homo sapiens 7240 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119261&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332119 104012508 CHEMBL102046 ZINC36092924 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215823 CC(C)C(NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C21H24N2O6/c1-12(2)19(20(26)22-15-10-18(25)29-21(15)27)23-17(24)11-28-16-9-5-7-13-6-3-4-8-14(13)16/h3-9,12,15,19,21,27H,10-11H2,1-2H3,(H,22,26)(H,23,24)/t15-,19?,21?/m0/s1 LTBPAHIEHDBOIC-ULUNDTCASA-N 50119265 CHEMBL323570::N-(2-Hydroxy-5-oxo-tetrahydro-furan-3-yl)-2-[2-(naphthalen-1-yloxy)-acetylamino]-butyramide Caspase-7 Homo sapiens 2100 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119265&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331980 104012512 CHEMBL323570 ZINC26748285 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215825 CC(C)C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H26N2O6/c1-13(2)9-17(21(27)24-18-11-20(26)30-22(18)28)23-19(25)12-29-16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18,22,28H,9,11-12H2,1-2H3,(H,23,25)(H,24,27)/t17-,18-,22?/m0/s1 BSVUOPHXZOKMKE-KJMDXERQSA-N 50119203 (S)-4-Methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoic acid ((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::4-Methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL100405 Caspase-7 Homo sapiens 8870.0 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119203&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331943 104012450 CHEMBL100405 ZINC13819044 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215828 CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C23H31N3O9/c1-13(2)10-16(21(31)25-17-11-19(29)35-22(17)32)24-20(30)15(8-9-18(27)28)26-23(33)34-12-14-6-4-3-5-7-14/h3-7,13,15-17,22,32H,8-12H2,1-2H3,(H,24,30)(H,25,31)(H,26,33)(H,27,28)/t15-,16-,17-,22?/m0/s1 NETBIBQTHPVZHP-FGJWLUJVSA-N 50119218 4-Benzyloxycarbonylamino-4-[1-(2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL100588 Caspase-7 Homo sapiens 10 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119218&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331910 104012465 CHEMBL100588 ZINC13819025 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215832 CC(C)C(NC(=O)COc1cc2ccccc2cc1C(O)=O)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H24N2O8/c1-11(2)19(20(27)23-15-9-18(26)32-22(15)30)24-17(25)10-31-16-8-13-6-4-3-5-12(13)7-14(16)21(28)29/h3-8,11,15,19,22,30H,9-10H2,1-2H3,(H,23,27)(H,24,25)(H,28,29)/t15-,19?,22?/m0/s1 JPRMMEXMBCGVFV-KATGSKEPSA-N 50119257 3-{[1-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-propylcarbamoyl]-methoxy}-naphthalene-2-carboxylic acid::CHEMBL328155 Caspase-7 Homo sapiens 17000 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119257&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332113 104012504 CHEMBL328155 ZINC26747962 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215848 CC(C)C(NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C21H25N3O5/c1-12(2)19(20(27)23-16-10-18(26)29-21(16)28)24-17(25)11-22-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16,19,21-22,28H,10-11H2,1-2H3,(H,23,27)(H,24,25)/t16-,19?,21?/m0/s1 ZYWFKPCNVPPHDB-YQHFOJDRSA-N 50119258 CHEMBL323322::N-(2-Hydroxy-5-oxo-tetrahydro-furan-3-yl)-2-[2-(naphthalen-1-ylamino)-acetylamino]-butyramide Caspase-7 Homo sapiens 6140 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119258&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332118 104012505 CHEMBL323322 ZINC26746282 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215858 CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)C[C@H]1CC(=O)OC1O InChI=1S/C19H25NO6/c1-12(2)8-15(16(21)9-14-10-17(22)26-18(14)23)20-19(24)25-11-13-6-4-3-5-7-13/h3-7,12,14-15,18,23H,8-11H2,1-2H3,(H,20,24)/t14-,15+,18?/m0/s1 CTJZWSVZYAAOKF-DYNVDGSKSA-N 50119241 CHEMBL319251::{(R)-1-[2-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-yl)-acetyl]-3-methyl-butyl}-carbamic acid benzyl ester Caspase-7 Homo sapiens 21900 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119241&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331963 104012488 CHEMBL319251 ZINC26744030 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215860 CC(C)C(NC(=O)COc1cc2ccccc2cc1NS(=O)(=O)C(F)(F)F)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H24F3N3O8S/c1-11(2)19(20(31)26-15-9-18(30)36-21(15)32)27-17(29)10-35-16-8-13-6-4-3-5-12(13)7-14(16)28-37(33,34)22(23,24)25/h3-8,11,15,19,21,28,32H,9-10H2,1-2H3,(H,26,31)(H,27,29)/t15-,19?,21?/m0/s1 DSVOWLRMMWVDKT-ULUNDTCASA-N 50119263 CHEMBL100591::N-(2-Hydroxy-5-oxo-tetrahydro-furan-3-yl)-2-[2-(3-trifluoromethanesulfonylamino-naphthalen-2-yloxy)-acetylamino]-butyramide Caspase-7 Homo sapiens 43660 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119263&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332112 104012510 CHEMBL100591 ZINC26747952 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215869 CC(C)C(NC(=O)CCOc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H26N2O6/c1-13(2)20(21(27)23-16-12-19(26)30-22(16)28)24-18(25)10-11-29-17-9-5-7-14-6-3-4-8-15(14)17/h3-9,13,16,20,22,28H,10-12H2,1-2H3,(H,23,27)(H,24,25)/t16-,20?,22?/m0/s1 CHSCVUZZIURKPY-LYGRKUJNSA-N 50119254 CHEMBL317246::N-(2-Hydroxy-5-oxo-tetrahydro-furan-3-yl)-2-[3-(naphthalen-1-yloxy)-propionylamino]-butyramide Caspase-7 Homo sapiens 37030 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119254&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331957 104012501 CHEMBL317246 ZINC26747365 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215875 CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)C[C@H]1CC(=O)OC1O InChI=1S/C18H23NO6/c1-11(2)16(14(20)8-13-9-15(21)25-17(13)22)19-18(23)24-10-12-6-4-3-5-7-12/h3-7,11,13,16-17,22H,8-10H2,1-2H3,(H,19,23)/t13-,16+,17?/m0/s1 XRRXSTWFJPJINX-XVMZJDAESA-N 50119211 CHEMBL100933::[(R)-3-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-yl)-1-isopropyl-2-oxo-propyl]-carbamic acid benzyl ester Caspase-7 Homo sapiens 6810 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119211&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331964 104012458 CHEMBL100933 ZINC26744040 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215879 CC(C)CC(NC(=O)CNc1cccc(Oc2ccccc2)c1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C24H29N3O6/c1-15(2)11-19(23(30)27-20-13-22(29)33-24(20)31)26-21(28)14-25-16-7-6-10-18(12-16)32-17-8-4-3-5-9-17/h3-10,12,15,19-20,24-25,31H,11,13-14H2,1-2H3,(H,26,28)(H,27,30)/t19?,20-,24?/m0/s1 LDDAWLZYJRJPPR-VIHQBZHPSA-N 50119259 4-Methyl-2-[2-(3-phenoxy-phenylamino)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL101182 Caspase-7 Homo sapiens 2670 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119259&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331965 104012506 CHEMBL101182 ZINC26751109 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215883 CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H26N2O6/c1-13(2)10-16(21(27)24-17-11-20(26)30-22(17)28)23-19(25)12-29-18-9-5-7-14-6-3-4-8-15(14)18/h3-9,13,16-17,22,28H,10-12H2,1-2H3,(H,23,25)(H,24,27)/t16-,17-,22?/m0/s1 UVJNVVPTQWFZMT-ASCMOBCVSA-N 50119234 4-Methyl-2-[2-(naphthalen-1-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::4-Methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL318386 Caspase-7 Homo sapiens 1810 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119234&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 10001828 104012481 CHEMBL318386 ZINC13819069 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215884 CC(C)CC(NC(=O)CNCC(Cc1ccccc1)c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C27H35N3O5/c1-18(2)13-22(26(33)30-23-15-25(32)35-27(23)34)29-24(31)17-28-16-21(20-11-7-4-8-12-20)14-19-9-5-3-6-10-19/h3-12,18,21-23,27-28,34H,13-17H2,1-2H3,(H,29,31)(H,30,33)/t21?,22?,23-,27?/m0/s1 JMCSMHDKXZIFQR-VKTRECPLSA-N 50119255 2-[2-(2,3-Diphenyl-propylamino)-acetylamino]-4-methyl-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL101622 Caspase-7 Homo sapiens 2920 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119255&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331953 104012502 CHEMBL101622 ZINC36092926 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215887 CC(C)CC(NC(=O)[C@H](CCC(O)=O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C25H30N2O8/c1-14(2)12-17(23(31)27-18-13-22(30)35-25(18)33)26-24(32)20(10-11-21(28)29)34-19-9-5-7-15-6-3-4-8-16(15)19/h3-9,14,17-18,20,25,33H,10-13H2,1-2H3,(H,26,32)(H,27,31)(H,28,29)/t17?,18-,20-,25?/m0/s1 CLKQXEGDLZQTME-JCMFZVGDSA-N 50119267 4-[1-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butylcarbamoyl]-4-(naphthalen-1-yloxy)-butyric acid::CHEMBL101545 Caspase-7 Homo sapiens 130 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119267&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331914 104012514 CHEMBL101545 ZINC26747638 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215890 CC(C)CC(NC(=O)[C@@H](CCC(O)=O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C25H30N2O8/c1-14(2)12-17(23(31)27-18-13-22(30)35-25(18)33)26-24(32)20(10-11-21(28)29)34-19-9-5-7-15-6-3-4-8-16(15)19/h3-9,14,17-18,20,25,33H,10-13H2,1-2H3,(H,26,32)(H,27,31)(H,28,29)/t17?,18-,20+,25?/m0/s1 CLKQXEGDLZQTME-JIMMVCRISA-N 50119264 4-[1-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butylcarbamoyl]-4-(naphthalen-1-yloxy)-butyric acid::CHEMBL100643 Caspase-7 Homo sapiens 587 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119264&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331915 104012511 CHEMBL100643 ZINC26748118 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215895 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C20H30N4O11/c1-8(2)16(19(33)23-12-7-15(30)35-20(12)34)24-17(31)10(4-5-13(26)27)22-18(32)11(6-14(28)29)21-9(3)25/h8,10-12,16,20,34H,4-7H2,1-3H3,(H,21,25)(H,22,32)(H,23,33)(H,24,31)(H,26,27)(H,28,29)/t10-,11-,12-,16-,20?/m0/s1 SKSZJGAFHISZNB-JZRNZGBLSA-N 50072047 4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-2-methyl-propylcarbamoyl]-butyric acid::CHEMBL430648 Caspase-7 Homo sapiens 10 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072047&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44331898 103965737 CHEMBL430648 ZINC40460464 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215899 CC(C)C(NC(=O)COc1cccc2c(NS(=O)(=O)C(F)(F)F)cccc12)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H24F3N3O8S/c1-11(2)19(20(31)26-15-9-18(30)36-21(15)32)27-17(29)10-35-16-8-4-5-12-13(16)6-3-7-14(12)28-37(33,34)22(23,24)25/h3-8,11,15,19,21,28,32H,9-10H2,1-2H3,(H,26,31)(H,27,29)/t15-,19?,21?/m0/s1 WLZOCGMSLPOOIC-ULUNDTCASA-N 50119260 CHEMBL100559::N-(2-Hydroxy-5-oxo-tetrahydro-furan-3-yl)-2-[2-(5-trifluoromethanesulfonylamino-naphthalen-1-yloxy)-acetylamino]-butyramide Caspase-7 Homo sapiens 11000 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119260&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332005 104012507 CHEMBL100559 ZINC26748141 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50215901 CC(C)C(NC(=O)COc1c(ccc2ccccc12)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C22H24N2O8/c1-11(2)18(20(27)23-15-9-17(26)32-22(15)30)24-16(25)10-31-19-13-6-4-3-5-12(13)7-8-14(19)21(28)29/h3-8,11,15,18,22,30H,9-10H2,1-2H3,(H,23,27)(H,24,25)(H,28,29)/t15-,18?,22?/m0/s1 AOUFLZQXBYFGOZ-DBXLBAIQSA-N 50119266 1-{[1-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-propylcarbamoyl]-methoxy}-naphthalene-2-carboxylic acid::CHEMBL101145 Caspase-7 Homo sapiens 1650 ChEMBL 10.1016/s0960-894x(02)00630-3 10.7270/Q24M93VX 12270186 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119266&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44332136 104012513 CHEMBL101145 ZINC26745356 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258747 COc1ccc(CCC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C17H15NO3S/c1-21-13-9-6-12(7-10-13)8-11-16(19)18-17(20)14-4-2-3-5-15(14)22-18/h2-7,9-10H,8,11H2,1H3 WJGNHRNPMJTWAO-UHFFFAOYSA-N 50040267 CHEMBL3360048 Caspase-7 Homo sapiens 52 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040267&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 101879104 103972327 CHEMBL3360048 ZINC22940653 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258748 Fc1ccccc1CCC(=O)n1sc2ccccc2c1=O InChI=1S/C16H12FNO2S/c17-13-7-3-1-5-11(13)9-10-15(19)18-16(20)12-6-2-4-8-14(12)21-18/h1-8H,9-10H2 SAUQPQCMYXHHJG-UHFFFAOYSA-N 50040268 CHEMBL3360049 Caspase-7 Homo sapiens 87 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040268&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724026 103972328 CHEMBL3360049 ZINC26290329 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258749 Fc1cccc(CCC(=O)n2sc3ccccc3c2=O)c1 InChI=1S/C16H12FNO2S/c17-12-5-3-4-11(10-12)8-9-15(19)18-16(20)13-6-1-2-7-14(13)21-18/h1-7,10H,8-9H2 MIQOWTZVMDSHBY-UHFFFAOYSA-N 50040269 CHEMBL3360050 Caspase-7 Homo sapiens 78 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040269&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724027 103972329 CHEMBL3360050 ZINC26295425 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258750 Fc1ccc(CCC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C16H12FNO2S/c17-12-8-5-11(6-9-12)7-10-15(19)18-16(20)13-3-1-2-4-14(13)21-18/h1-6,8-9H,7,10H2 LNQOGDMGNCKCJV-UHFFFAOYSA-N 50040270 CHEMBL3360051 Caspase-7 Homo sapiens 60 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040270&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724028 103972330 CHEMBL3360051 ZINC26280964 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258751 Clc1ccccc1CCC(=O)n1sc2ccccc2c1=O InChI=1S/C16H12ClNO2S/c17-13-7-3-1-5-11(13)9-10-15(19)18-16(20)12-6-2-4-8-14(12)21-18/h1-8H,9-10H2 RSWZABGNSYHJJL-UHFFFAOYSA-N 50040271 CHEMBL3360052 Caspase-7 Homo sapiens 158 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040271&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724029 103972331 CHEMBL3360052 ZINC26286089 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258770 Clc1ccc(CCC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C16H12ClNO2S/c17-12-8-5-11(6-9-12)7-10-15(19)18-16(20)13-3-1-2-4-14(13)21-18/h1-6,8-9H,7,10H2 GWEMAMOVSFKYPL-UHFFFAOYSA-N 50040328 CHEMBL3360053 Caspase-7 Homo sapiens 73 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040328&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724030 103972385 CHEMBL3360053 ZINC13734426 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258771 O=C(CCCc1ccccc1)n1sc2ccccc2c1=O InChI=1S/C17H15NO2S/c19-16(12-6-9-13-7-2-1-3-8-13)18-17(20)14-10-4-5-11-15(14)21-18/h1-5,7-8,10-11H,6,9,12H2 XZTYLVOBUZQRJN-UHFFFAOYSA-N 50040329 CHEMBL3360054 Caspase-7 Homo sapiens 166 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040329&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724031 103972386 CHEMBL3360054 ZINC13734397 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258772 Cc1ccc(CCCC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C18H17NO2S/c1-13-9-11-14(12-10-13)5-4-8-17(20)19-18(21)15-6-2-3-7-16(15)22-19/h2-3,6-7,9-12H,4-5,8H2,1H3 GTXNLQVCIHMROL-UHFFFAOYSA-N 50040330 CHEMBL3360055 Caspase-7 Homo sapiens 98 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040330&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724032 103972387 CHEMBL3360055 ZINC13734388 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258773 COc1ccc(CCCC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C18H17NO3S/c1-22-14-11-9-13(10-12-14)5-4-8-17(20)19-18(21)15-6-2-3-7-16(15)23-19/h2-3,6-7,9-12H,4-5,8H2,1H3 YZQKWJFJWRAGSA-UHFFFAOYSA-N 50040331 CHEMBL3360056 Caspase-7 Homo sapiens 75 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040331&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724033 103972388 CHEMBL3360056 ZINC13734406 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258774 O=C(CCCCc1ccccc1)n1sc2ccccc2c1=O InChI=1S/C18H17NO2S/c20-17(13-7-4-10-14-8-2-1-3-9-14)19-18(21)15-11-5-6-12-16(15)22-19/h1-3,5-6,8-9,11-12H,4,7,10,13H2 GQXBVBOSGIYTNU-UHFFFAOYSA-N 50040332 CHEMBL3360057 Caspase-7 Homo sapiens 101 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040332&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724034 103972389 CHEMBL3360057 ZINC13734382 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258775 O=C(Cc1cccs1)n1sc2ccccc2c1=O InChI=1S/C13H9NO2S2/c15-12(8-9-4-3-7-17-9)14-13(16)10-5-1-2-6-11(10)18-14/h1-7H,8H2 BURLHWWADQRHGR-UHFFFAOYSA-N 50040333 CHEMBL3360058 Caspase-7 Homo sapiens 18080 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040333&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724035 103972390 CHEMBL3360058 ZINC13734424 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258776 O=C(CCC(=O)n1sc2ccccc2c1=O)c1cccs1 InChI=1S/C15H11NO3S2/c17-11(13-6-3-9-20-13)7-8-14(18)16-15(19)10-4-1-2-5-12(10)21-16/h1-6,9H,7-8H2 IRZYVIBRQPMBSG-UHFFFAOYSA-N 50040334 CHEMBL3360059 Caspase-7 Homo sapiens 57 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040334&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724036 103972391 CHEMBL3360059 ZINC13734409 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258777 O=C(CCCc1cccs1)n1sc2ccccc2c1=O InChI=1S/C15H13NO2S2/c17-14(9-3-5-11-6-4-10-19-11)16-15(18)12-7-1-2-8-13(12)20-16/h1-2,4,6-8,10H,3,5,9H2 SKWCEVYBZPAJGK-UHFFFAOYSA-N 50040335 CHEMBL3360060 Caspase-7 Homo sapiens 115 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040335&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724037 103972392 CHEMBL3360060 ZINC13734394 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258778 O=C(Cc1ccc(cc1)-c1ccccc1)n1sc2ccccc2c1=O InChI=1S/C21H15NO2S/c23-20(22-21(24)18-8-4-5-9-19(18)25-22)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2 VMPMJRSSYGKAFD-UHFFFAOYSA-N 50040336 CHEMBL3360061 Caspase-7 Homo sapiens 115 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040336&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724038 103972393 CHEMBL3360061 ZINC13734415 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258779 O=C(Cc1ccc2ccccc2c1)n1sc2ccccc2c1=O InChI=1S/C19H13NO2S/c21-18(20-19(22)16-7-3-4-8-17(16)23-20)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2 PAPREHNJYFBQSL-UHFFFAOYSA-N 50040337 CHEMBL3360062 Caspase-7 Homo sapiens 297 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040337&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724039 103972394 CHEMBL3360062 ZINC13734379 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258780 O=C(Cc1ccc2OCCc2c1)n1sc2ccccc2c1=O InChI=1S/C17H13NO3S/c19-16(10-11-5-6-14-12(9-11)7-8-21-14)18-17(20)13-3-1-2-4-15(13)22-18/h1-6,9H,7-8,10H2 GDXMRGIYSQTDEQ-UHFFFAOYSA-N 50040338 CHEMBL3360063 Caspase-7 Homo sapiens 185 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040338&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724040 103972395 CHEMBL3360063 ZINC13734421 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258781 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1 UMBVAPCONCILTL-MRHIQRDNSA-N 10246 (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid::Ac-DEVD-CHO::CHEMBL417149 Caspase-7 Homo sapiens 155 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10246&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3H1P 644345 46510875 59385 CHEMBL417149 6527 ZINC03928290 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258782 Oc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C15H11NO3S/c17-11-7-5-10(6-8-11)9-14(18)16-15(19)12-3-1-2-4-13(12)20-16/h1-8,17H,9H2 FOGVBUNJXCEAOT-UHFFFAOYSA-N 50040313 CHEMBL3360041 Caspase-7 Homo sapiens 330 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040313&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724020 313067445 CHEMBL3360041 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258783 Clc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1Cl InChI=1S/C15H9Cl2NO2S/c16-11-6-5-9(7-12(11)17)8-14(19)18-15(20)10-3-1-2-4-13(10)21-18/h1-7H,8H2 MYQIKQZBTUPQJR-UHFFFAOYSA-N 50040322 CHEMBL3360042 Caspase-7 Homo sapiens 198 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040322&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724021 313067446 CHEMBL3360042 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258784 O=C(CCc1ccccc1)n1sc2ccccc2c1=O InChI=1S/C16H13NO2S/c18-15(11-10-12-6-2-1-3-7-12)17-16(19)13-8-4-5-9-14(13)20-17/h1-9H,10-11H2 OLSIEGWDJFSEDP-UHFFFAOYSA-N 50040326 CHEMBL3360043 Caspase-7 Homo sapiens 112 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040326&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724022 103972383 CHEMBL3360043 ZINC13734419 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258785 Cc1cccc(CCC(=O)n2sc3ccccc3c2=O)c1 InChI=1S/C17H15NO2S/c1-12-5-4-6-13(11-12)9-10-16(19)18-17(20)14-7-2-3-8-15(14)21-18/h2-8,11H,9-10H2,1H3 QMYPHOKIXSLRMB-UHFFFAOYSA-N 50040327 CHEMBL3360044 Caspase-7 Homo sapiens 109 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040327&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724023 103972384 CHEMBL3360044 ZINC13734400 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258786 Cc1ccc(CCC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C17H15NO2S/c1-12-6-8-13(9-7-12)10-11-16(19)18-17(20)14-4-2-3-5-15(14)21-18/h2-9H,10-11H2,1H3 DFEUSDFPTOGJKU-UHFFFAOYSA-N 50040339 CHEMBL3360045 Caspase-7 Homo sapiens 73 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040339&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724024 103972396 CHEMBL3360045 ZINC13734412 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258787 COc1ccccc1CCC(=O)n1sc2ccccc2c1=O InChI=1S/C17H15NO3S/c1-21-14-8-4-2-6-12(14)10-11-16(19)18-17(20)13-7-3-5-9-15(13)22-18/h2-9H,10-11H2,1H3 LWBNNPKCSRJWRE-UHFFFAOYSA-N 50040340 CHEMBL3360046 Caspase-7 Homo sapiens 64 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040340&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724025 103972397 CHEMBL3360046 ZINC13734391 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258788 COc1cccc(CCC(=O)n2sc3ccccc3c2=O)c1 InChI=1S/C17H15NO3S/c1-21-13-6-4-5-12(11-13)9-10-16(19)18-17(20)14-7-2-3-8-15(14)22-18/h2-8,11H,9-10H2,1H3 TXWGTLBORQHCEB-UHFFFAOYSA-N 50040341 CHEMBL3360047 Caspase-7 Homo sapiens 54 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040341&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 101879103 103972398 CHEMBL3360047 ZINC13734403 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258789 Clc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C15H10ClNO2S/c16-11-7-5-10(6-8-11)9-14(18)17-15(19)12-3-1-2-4-13(12)20-17/h1-8H,9H2 NMZRNLRSVKUVJC-UHFFFAOYSA-N 50040311 CHEMBL3360040 Caspase-7 Homo sapiens 586 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040311&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724019 103972370 CHEMBL3360040 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258790 Clc1cccc(CC(=O)n2sc3ccccc3c2=O)c1 InChI=1S/C15H10ClNO2S/c16-11-5-3-4-10(8-11)9-14(18)17-15(19)12-6-1-2-7-13(12)20-17/h1-8H,9H2 QIOIIQRMCCDEQM-UHFFFAOYSA-N 50040309 CHEMBL3360039 Caspase-7 Homo sapiens 607 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040309&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724018 103972368 CHEMBL3360039 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258791 Clc1ccccc1CC(=O)n1sc2ccccc2c1=O InChI=1S/C15H10ClNO2S/c16-12-7-3-1-5-10(12)9-14(18)17-15(19)11-6-2-4-8-13(11)20-17/h1-8H,9H2 PLZURAMCVPIGEB-UHFFFAOYSA-N 50040300 CHEMBL3360038 Caspase-7 Homo sapiens 145 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040300&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724017 103972359 CHEMBL3360038 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258792 Fc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C15H10FNO2S/c16-11-7-5-10(6-8-11)9-14(18)17-15(19)12-3-1-2-4-13(12)20-17/h1-8H,9H2 VXFLKDDGFADPSO-UHFFFAOYSA-N 50040297 CHEMBL3360037 Caspase-7 Homo sapiens 608 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040297&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724016 313067444 CHEMBL3360037 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258793 Fc1cccc(CC(=O)n2sc3ccccc3c2=O)c1 InChI=1S/C15H10FNO2S/c16-11-5-3-4-10(8-11)9-14(18)17-15(19)12-6-1-2-7-13(12)20-17/h1-8H,9H2 VBLKIMKAYGBRKC-UHFFFAOYSA-N 50040293 CHEMBL3360036 Caspase-7 Homo sapiens 458 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040293&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724015 103972353 CHEMBL3360036 ZINC01642261 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258794 Fc1ccccc1CC(=O)n1sc2ccccc2c1=O InChI=1S/C15H10FNO2S/c16-12-7-3-1-5-10(12)9-14(18)17-15(19)11-6-2-4-8-13(11)20-17/h1-8H,9H2 KTTPYYAFFJVFFD-UHFFFAOYSA-N 50040279 CHEMBL3360035 Caspase-7 Homo sapiens 123 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040279&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724014 103972339 CHEMBL3360035 ZINC22940660 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258795 COc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C16H13NO3S/c1-20-12-8-6-11(7-9-12)10-15(18)17-16(19)13-4-2-3-5-14(13)21-17/h2-9H,10H2,1H3 ZKIZFBPVPUITFA-UHFFFAOYSA-N 50040278 CHEMBL3360034 Caspase-7 Homo sapiens 213 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040278&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724013 103972338 CHEMBL3360034 ZINC26294983 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258796 COc1cccc(CC(=O)n2sc3ccccc3c2=O)c1 InChI=1S/C16H13NO3S/c1-20-12-6-4-5-11(9-12)10-15(18)17-16(19)13-7-2-3-8-14(13)21-17/h2-9H,10H2,1H3 PBRJUWKZXWXZNB-UHFFFAOYSA-N 50040277 CHEMBL3360033 Caspase-7 Homo sapiens 211 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040277&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724012 103972337 CHEMBL3360033 ZINC26291627 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258797 COc1ccccc1CC(=O)n1sc2ccccc2c1=O InChI=1S/C16H13NO3S/c1-20-13-8-4-2-6-11(13)10-15(18)17-16(19)12-7-3-5-9-14(12)21-17/h2-9H,10H2,1H3 DLYWFYKLKHPATQ-UHFFFAOYSA-N 50040276 CHEMBL3360032 Caspase-7 Homo sapiens 207 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040276&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724011 103972336 CHEMBL3360032 ZINC22940648 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258798 Cc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1 InChI=1S/C16H13NO2S/c1-11-6-8-12(9-7-11)10-15(18)17-16(19)13-4-2-3-5-14(13)20-17/h2-9H,10H2,1H3 KQZXEDILUFRWGM-UHFFFAOYSA-N 50040275 CHEMBL3360031 Caspase-7 Homo sapiens 182 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040275&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724010 103972335 CHEMBL3360031 ZINC20219132 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258799 Cc1cccc(CC(=O)n2sc3ccccc3c2=O)c1 InChI=1S/C16H13NO2S/c1-11-5-4-6-12(9-11)10-15(18)17-16(19)13-7-2-3-8-14(13)20-17/h2-9H,10H2,1H3 FGXCHOFOCOXOCJ-UHFFFAOYSA-N 50040274 CHEMBL3360030 Caspase-7 Homo sapiens 184 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040274&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724009 103972334 CHEMBL3360030 ZINC26284629 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245960 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(I)c1 InChI=1S/C14H15IN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1 GOXWDSSPEFHIDF-QMMMGPOBSA-N 50031590 CHEMBL3359182 Caspase-7 Homo sapiens 500000 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031590&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723310 313066083 CHEMBL3359182 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245961 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(C)c2c(I)c1 InChI=1S/C15H17IN2O5S/c1-17-13-11(14(19)15(17)20)6-10(7-12(13)16)24(21,22)18-5-3-4-9(18)8-23-2/h6-7,9H,3-5,8H2,1-2H3/t9-/m0/s1 IFZYCMJYVLNNQH-VIFPVBQESA-N 50031591 CHEMBL3359183 Caspase-7 Homo sapiens 10500 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031591&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723311 313066084 CHEMBL3359183 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245962 CCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C16H19IN2O5S/c1-3-18-14-12(15(20)16(18)21)7-11(8-13(14)17)25(22,23)19-6-4-5-10(19)9-24-2/h7-8,10H,3-6,9H2,1-2H3/t10-/m0/s1 BAOVBFBBIQDDHH-JTQLQIEISA-N 50031592 CHEMBL3359184 Caspase-7 Homo sapiens 20 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031592&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723312 313066085 CHEMBL3359184 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245963 CCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C17H21IN2O5S/c1-3-6-19-15-13(16(21)17(19)22)8-12(9-14(15)18)26(23,24)20-7-4-5-11(20)10-25-2/h8-9,11H,3-7,10H2,1-2H3/t11-/m0/s1 IZSZDPFSJZSGIB-NSHDSACASA-N 50031593 CHEMBL3359185 Caspase-7 Homo sapiens 42 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031593&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723313 313066086 CHEMBL3359185 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245964 CCCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C18H23IN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1 MFWZBTUZXAYVJI-LBPRGKRZSA-N 50031594 CHEMBL3359186 Caspase-7 Homo sapiens 907 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031594&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723314 313066087 CHEMBL3359186 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245965 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(I)c1 InChI=1S/C17H20FIN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(19)9-12)20(6-3-5-18)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1 XFDDCMWVWGKTPZ-NSHDSACASA-N 50031595 CHEMBL3359187 Caspase-7 Homo sapiens 123 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031595&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723315 313066088 CHEMBL3359187 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245966 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(I)c1 InChI=1S/C18H22FIN2O5S/c1-27-11-12-5-4-8-22(12)28(25,26)13-9-14-16(15(20)10-13)21(7-3-2-6-19)18(24)17(14)23/h9-10,12H,2-8,11H2,1H3/t12-/m0/s1 BEUDVJBODYYMBI-LBPRGKRZSA-N 50031596 CHEMBL3359188 Caspase-7 Homo sapiens 68 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031596&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723316 313066089 CHEMBL3359188 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245967 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(I)c1 InChI=1S/C18H23IN2O6S/c1-27-11-12-5-4-7-21(12)28(25,26)13-9-14-16(15(19)10-13)20(6-2-3-8-22)18(24)17(14)23/h9-10,12,22H,2-8,11H2,1H3/t12-/m0/s1 RQWMOUMJTFUKRW-LBPRGKRZSA-N 50031597 CHEMBL3359189 Caspase-7 Homo sapiens 279 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031597&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723317 313066090 CHEMBL3359189 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245968 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(Br)c1 InChI=1S/C14H15BrN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1 GWJHLCUFDITKLY-QMMMGPOBSA-N 50031598 CHEMBL3359190 Caspase-7 Homo sapiens 500000 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031598&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723318 313066091 CHEMBL3359190 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245969 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(C)c2c(Br)c1 InChI=1S/C15H17BrN2O5S/c1-17-13-11(14(19)15(17)20)6-10(7-12(13)16)24(21,22)18-5-3-4-9(18)8-23-2/h6-7,9H,3-5,8H2,1-2H3/t9-/m0/s1 HOONNWPQCPKYFI-VIFPVBQESA-N 50031599 CHEMBL3359191 Caspase-7 Homo sapiens 553 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031599&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723319 313066092 CHEMBL3359191 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245970 CCN1C(=O)C(=O)c2cc(cc(Br)c12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C16H19BrN2O5S/c1-3-18-14-12(15(20)16(18)21)7-11(8-13(14)17)25(22,23)19-6-4-5-10(19)9-24-2/h7-8,10H,3-6,9H2,1-2H3/t10-/m0/s1 QVZSKXKXTDTJKH-JTQLQIEISA-N 50031600 CHEMBL3359192 Caspase-7 Homo sapiens 135 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031600&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723320 313066093 CHEMBL3359192 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245971 CCCN1C(=O)C(=O)c2cc(cc(Br)c12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C17H21BrN2O5S/c1-3-6-19-15-13(16(21)17(19)22)8-12(9-14(15)18)26(23,24)20-7-4-5-11(20)10-25-2/h8-9,11H,3-7,10H2,1-2H3/t11-/m0/s1 DFTYYYJXYFUPCV-NSHDSACASA-N 50031601 CHEMBL3359193 Caspase-7 Homo sapiens 157 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031601&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723321 313066094 CHEMBL3359193 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245972 CCCCN1C(=O)C(=O)c2cc(cc(Br)c12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C18H23BrN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1 SDEQMNUREZLDJE-LBPRGKRZSA-N 50031602 CHEMBL3359194 Caspase-7 Homo sapiens 3.3 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031602&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723322 313066095 CHEMBL3359194 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245973 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(Br)c1 InChI=1S/C17H20BrFN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(18)9-12)20(6-3-5-19)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1 ZQZYDAYNBPNRDV-NSHDSACASA-N 50031603 CHEMBL3359195 Caspase-7 Homo sapiens 20 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031603&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723323 313066096 CHEMBL3359195 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245974 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(Br)c1 InChI=1S/C18H22BrFN2O5S/c1-27-11-12-5-4-8-22(12)28(25,26)13-9-14-16(15(19)10-13)21(7-3-2-6-20)18(24)17(14)23/h9-10,12H,2-8,11H2,1H3/t12-/m0/s1 LHHQIZSDNGIYTJ-LBPRGKRZSA-N 50031604 CHEMBL3359196 Caspase-7 Homo sapiens 6.0 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031604&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723324 313066097 CHEMBL3359196 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245975 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(Br)c1 InChI=1S/C18H23BrN2O6S/c1-27-11-12-5-4-7-21(12)28(25,26)13-9-14-16(15(19)10-13)20(6-2-3-8-22)18(24)17(14)23/h9-10,12,22H,2-8,11H2,1H3/t12-/m0/s1 RIBWEGLQTVTLTI-LBPRGKRZSA-N 50031605 CHEMBL3359197 Caspase-7 Homo sapiens 23 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031605&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723325 313066098 CHEMBL3359197 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245976 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(Cl)c1 InChI=1S/C14H15ClN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1 OTPQQJNPBNKFMD-QMMMGPOBSA-N 50031606 CHEMBL3359198 Caspase-7 Homo sapiens 500000 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031606&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723326 313066099 CHEMBL3359198 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245977 CCCCN1C(=O)C(=O)c2cc(cc(Cl)c12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C18H23ClN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1 JLXZUACSFOZXOH-LBPRGKRZSA-N 50031607 CHEMBL3359199 Caspase-7 Homo sapiens 263 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031607&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723327 313066100 CHEMBL3359199 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245978 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(Cl)c1 InChI=1S/C17H20ClFN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(18)9-12)20(6-3-5-19)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1 AEYFPXLRNOQPNR-NSHDSACASA-N 50031608 CHEMBL3359200 Caspase-7 Homo sapiens 56 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031608&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723328 313066101 CHEMBL3359200 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245979 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(F)c1 InChI=1S/C14H15FN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1 WAAQKRMBGFIDTJ-QMMMGPOBSA-N 50031609 CHEMBL3359201 Caspase-7 Homo sapiens 6620 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031609&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723329 313066102 CHEMBL3359201 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245980 CCCCN1C(=O)C(=O)c2cc(cc(F)c12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C18H23FN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1 DOVOIZGMETXBAW-LBPRGKRZSA-N 50031610 CHEMBL3359202 Caspase-7 Homo sapiens 9.7 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031610&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723330 313066103 CHEMBL3359202 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245981 COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(F)c1 InChI=1S/C17H20F2N2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(19)9-12)20(6-3-5-18)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1 ACIRQJGPTIFUPJ-NSHDSACASA-N 50031611 CHEMBL3359203 Caspase-7 Homo sapiens 39 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031611&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118723331 313066104 CHEMBL3359203 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50245983 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1 SLQMNVJNDYLJSF-VIFPVBQESA-N 10305 (S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isatin::5-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60190::Isatin Sulfonamide 16 Caspase-7 Homo sapiens 170 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10305&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9840223 46510932 CHEMBL60190 ZINC03871900 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258800 Cc1ccccc1CC(=O)n1sc2ccccc2c1=O InChI=1S/C16H13NO2S/c1-11-6-2-3-7-12(11)10-15(18)17-16(19)13-8-4-5-9-14(13)20-17/h2-9H,10H2,1H3 QGZFJAMNGXQLQV-UHFFFAOYSA-N 50040273 CHEMBL3360029 Caspase-7 Homo sapiens 370 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040273&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724008 103972333 CHEMBL3360029 ZINC22940642 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258801 O=C(Cc1ccccc1)n1sc2ccccc2c1=O InChI=1S/C15H11NO2S/c17-14(10-11-6-2-1-3-7-11)16-15(18)12-8-4-5-9-13(12)19-16/h1-9H,10H2 MIRPJNSLZMOWQE-UHFFFAOYSA-N 50040272 CHEMBL3360028 Caspase-7 Homo sapiens 269 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040272&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 118724007 103972332 CHEMBL3360028 ZINC26285734 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50258802 O=C(Nc1ccc(cc1)N1CCOCC1)n1sc2ccccc2c1=O InChI=1S/C18H17N3O3S/c22-17-15-3-1-2-4-16(15)25-21(17)18(23)19-13-5-7-14(8-6-13)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,23) QZFUTELGYWUBNF-UHFFFAOYSA-N 50002362 CHEMBL3233630 Caspase-7 Homo sapiens 164 ChEMBL 10.1016/j.bmc.2014.11.005 10.7270/Q2FQ9Z6K 25468037 Li, Z; Pan, Y; Zhong, W; Zhu, Y; Zhao, Y; Li, L; Liu, W; Zhou, H; Yang, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002362&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 86279277 103916667 CHEMBL3233630 ZINC27524667 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50246125 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1 PFAYCUAUBOGVDX-AWEZNQCLSA-N 10320 (S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL293034::IST-2::Isatin Sulfonamide 31::Pyrrolidine Isatin Analogue 11a Caspase-7 Homo sapiens 47 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10320&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search MSI 1GFW 5288850 46510947 CHEMBL293034 DB08213 ZINC03870526 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50246176 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1 SLQMNVJNDYLJSF-VIFPVBQESA-N 10305 (S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isatin::5-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60190::Isatin Sulfonamide 16 Caspase-7 Homo sapiens 1290 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10305&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9840223 46510932 CHEMBL60190 ZINC03871900 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50246177 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1 InChI=1S/C15H18N2O5S/c1-16-13-6-5-11(8-12(13)14(18)15(16)19)23(20,21)17-7-3-4-10(17)9-22-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1 SMINLRKVPPXJGK-JTQLQIEISA-N 50200302 (S)-5-(2-(methoxymethyl)pyrrolidin-1-ylsulfonyl)-1-methylindoline-2,3-dione::(S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-methylisatin::CHEMBL216819 Caspase-7 Homo sapiens 304 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200302&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11515586 104080672 CHEMBL216819 ZINC37866140 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50246178 CCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C16H20N2O5S/c1-3-17-14-7-6-12(9-13(14)15(19)16(17)20)24(21,22)18-8-4-5-11(18)10-23-2/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m0/s1 NVUAKKWTWHVSEV-NSHDSACASA-N 50257247 (S)-1-Ethyl-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL521839 Caspase-7 Homo sapiens 319 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257247&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572673 104108424 CHEMBL521839 ZINC40955142 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50246180 CCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C17H22N2O5S/c1-3-8-18-15-7-6-13(10-14(15)16(20)17(18)21)25(22,23)19-9-4-5-12(19)11-24-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3/t12-/m0/s1 FXRYYTKWISSZGE-LBPRGKRZSA-N 50257248 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-propylisatin::CHEMBL493926 Caspase-7 Homo sapiens 58 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257248&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44157030 104108425 CHEMBL493926 ZINC40429813 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50246184 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C18H24N2O5S/c1-3-4-9-19-16-8-7-14(11-15(16)17(21)18(19)22)26(23,24)20-10-5-6-13(20)12-25-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3/t13-/m0/s1 BRCVHXRLGOWCTD-ZDUSSCGKSA-N 50257249 (S)-1-Butyl-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL521840 Caspase-7 Homo sapiens 8.1 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257249&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44157031 104108426 CHEMBL521840 ZINC40955528 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50246185 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 InChI=1S/C18H23FN2O5S/c1-26-12-13-5-4-10-21(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)20(16)9-3-2-8-19/h6-7,11,13H,2-5,8-10,12H2,1H3/t13-/m0/s1 PIQHWGFQAFGKBN-ZDUSSCGKSA-N 50257355 (S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL494140 Caspase-7 Homo sapiens 28 ChEMBL 10.1021/jm500718e 10.7270/Q2474CGM 25358116 Limpachayaporn, P; Wagner, S; Kopka, K; Schober, O; Schäfers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257355&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572776 104108485 CHEMBL494140 ZINC40956517 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50282646 CC(C)[C@H](NC(=O)OCc1ccc(Cl)cc1Cl)C(=O)NC(CC(O)=O)C(=O)CF InChI=1S/C18H21Cl2FN2O6/c1-9(2)16(17(27)22-13(6-15(25)26)14(24)7-21)23-18(28)29-8-10-3-4-11(19)5-12(10)20/h3-5,9,13,16H,6-8H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)/t13?,16-/m0/s1 ANNPALXBOKTDBF-VYIIXAMBSA-N 50153668 3-[(S)-2-(2,4-Dichloro-benzyloxycarbonylamino)-3-methyl-butyrylamino]-5-fluoro-4-oxo-pentanoic acid::CHEMBL185356 Caspase-7 Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2004.08.027 10.7270/Q29G5M85 15454214 Cai, SX; Guan, L; Jia, S; Wang, Y; Yang, W; Tseng, B; Drewe, J Maxim Pharmaceuticals Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50153668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50153668&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11374367 104041443 CHEMBL185356 ZINC13977974 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50297238 CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF InChI=1S/C17H21FN2O6/c1-10(2)15(26-17(25)19-11-6-4-3-5-7-11)16(24)20-12(8-14(22)23)13(21)9-18/h3-7,10,12,15H,8-9H2,1-2H3,(H,19,25)(H,20,24)(H,22,23)/t12?,15-/m0/s1 VADGDBPFZAUONM-CVRLYYSRSA-N 50161452 5-Fluoro-3-((S)-3-methyl-2-phenylcarbamoyloxy-butyrylamino)-4-oxo-pentanoic acid::CHEMBL180263 Caspase-7 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2005.01.007 10.7270/Q26H4GX2 15713391 Wang, Y; Guan, L; Jia, S; Tseng, B; Drewe, J; Cai, SX Maxim Pharmaceuticals Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50161452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50161452&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11257152 104047758 CHEMBL180263 ZINC13918514 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295614 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/m0/s1 LVXZMAMJNHAXKU-ZENAZSQFSA-N 50160948 (S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol-2-ylmethyl)-amino]-2H-pyrazin-1-yl}-butyrylamino)-pentanoic acid::CHEMBL181768 Caspase-7 Homo sapiens 1.1 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160948&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9806986 104047386 CHEMBL181768 ZINC28137475 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295616 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nc(C)no2)c1=O InChI=1S/C24H28N6O6S/c1-3-18(30-10-9-25-22(24(30)35)26-12-20-27-15(2)29-36-20)23(34)28-17(11-21(32)33)19(31)14-37-13-16-7-5-4-6-8-16/h4-10,17-18H,3,11-14H2,1-2H3,(H,25,26)(H,28,34)(H,32,33)/t17-,18?/m0/s1 NAZSWKZWCFVHEL-ZENAZSQFSA-N 50160945 (S)-5-Benzylsulfanyl-3-(2-{3-[(3-methyl-[1,2,4]oxadiazol-5-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL360956 Caspase-7 Homo sapiens 4.7 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160945&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9849845 104047383 CHEMBL360956 ZINC28122530 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295619 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(C)CC)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C21H32N8O6/c1-5-16(20(33)25-14(9-18(31)32)17(30)11-22-12-28(4)6-2)29-8-7-23-19(21(29)34)24-10-15-13(3)26-35-27-15/h7-8,14,16,22H,5-6,9-12H2,1-4H3,(H,23,24)(H,25,33)(H,31,32)/t14-,16?/m0/s1 MNAXVQLJZGETJF-LBAUFKAWSA-N 50160944 (S)-5-{[(Ethyl-methyl-amino)-methyl]-amino}-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL264344 Caspase-7 Homo sapiens 0.540000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160944&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389316 104047382 CHEMBL264344 ZINC28137532 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295625 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O InChI=1S/C23H30N4O6S/c1-3-18(27-11-9-24-21(23(27)32)25-10-12-33-2)22(31)26-17(13-20(29)30)19(28)15-34-14-16-7-5-4-6-8-16/h4-9,11,17-18H,3,10,12-15H2,1-2H3,(H,24,25)(H,26,31)(H,29,30)/t17-,18?/m0/s1 SDUIHZXGXLYNPJ-ZENAZSQFSA-N 50160958 (S)-5-Benzylsulfanyl-3-{2-[3-(2-methoxy-ethylamino)-2-oxo-2H-pyrazin-1-yl]-butyrylamino}-4-oxo-pentanoic acid::CHEMBL359542 Caspase-7 Homo sapiens >10 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160958&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389335 104047396 CHEMBL359542 ZINC28128306 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295628 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)C InChI=1S/C28H46N8O6/c1-7-9-10-11-12-35(6)17-29-15-24(37)20(13-25(38)39)32-27(40)23(8-2)36-16-22(18(3)4)31-26(28(36)41)30-14-21-19(5)33-42-34-21/h16,18,20,23,29H,7-15,17H2,1-6H3,(H,30,31)(H,32,40)(H,38,39)/t20-,23?/m0/s1 QAFBFHNIUINEJN-AJZOCDQUSA-N 50160959 (S)-5-{[(Hexyl-methyl-amino)-methyl]-amino}-3-(2-{5-isopropyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL180646 Caspase-7 Homo sapiens 0.065000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160959&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389531 104047397 CHEMBL180646 ZINC28135583 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295632 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(CC)CC)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C22H34N8O6/c1-5-17(30-9-8-24-20(22(30)35)25-11-16-14(4)27-36-28-16)21(34)26-15(10-19(32)33)18(31)12-23-13-29(6-2)7-3/h8-9,15,17,23H,5-7,10-13H2,1-4H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/m0/s1 MPIKODMIUDLWKY-MYJWUSKBSA-N 50160952 (S)-5-(Diethylaminomethyl-amino)-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL181396 Caspase-7 Homo sapiens 3.2 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160952&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389307 104047390 CHEMBL181396 ZINC28136361 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295634 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCc2nc(C)no2)c1=O InChI=1S/C25H30N6O6S/c1-3-19(31-12-11-27-23(25(31)36)26-10-9-21-28-16(2)30-37-21)24(35)29-18(13-22(33)34)20(32)15-38-14-17-7-5-4-6-8-17/h4-8,11-12,18-19H,3,9-10,13-15H2,1-2H3,(H,26,27)(H,29,35)(H,33,34)/t18-,19?/m0/s1 UUTWTWROPLXGDT-OYKVQYDMSA-N 50160968 (S)-5-Benzylsulfanyl-3-(2-{3-[2-(3-methyl-[1,2,4]oxadiazol-5-yl)-ethylamino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL360915 Caspase-7 Homo sapiens >10 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160968&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9807375 104047406 CHEMBL360915 ZINC28136882 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295635 CCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C InChI=1S/C27H43N7O6/c1-8-10-11-12-33(7)15-21(35)18(13-23(36)37)29-25(38)20(9-2)34-16-22(27(4,5)6)30-24(26(34)39)28-14-19-17(3)31-40-32-19/h16,18,20H,8-15H2,1-7H3,(H,28,30)(H,29,38)(H,36,37)/p+1 YNRQFMSSDVQNGQ-UHFFFAOYSA-O 50160957 CHEMBL179503::[3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-carboxy-2-oxo-butyl]-methyl-pentyl-ammonium; chloride Caspase-7 Homo sapiens 0.090000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160957&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 91933270 104047395 CHEMBL179503 ZINC14164654 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295636 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCN2CCCC2=O)c1=O InChI=1S/C27H35N5O6S/c1-2-21(32-15-12-29-25(27(32)38)28-11-7-14-31-13-6-10-23(31)34)26(37)30-20(16-24(35)36)22(33)18-39-17-19-8-4-3-5-9-19/h3-5,8-9,12,15,20-21H,2,6-7,10-11,13-14,16-18H2,1H3,(H,28,29)(H,30,37)(H,35,36)/t20-,21?/m0/s1 WZRDTXYFPUFFST-BGERDNNASA-N 50160966 (S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[3-(2-oxo-pyrrolidin-1-yl)-propylamino]-2H-pyrazin-1-yl}-butyrylamino)-pentanoic acid::CHEMBL182103 Caspase-7 Homo sapiens >10 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160966&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389318 104047404 CHEMBL182103 ZINC28137574 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295640 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C27H34N8O6/c1-3-22(35-11-9-29-25(27(35)40)30-13-21-17(2)32-41-33-21)26(39)31-20(12-24(37)38)23(36)14-28-16-34-10-8-18-6-4-5-7-19(18)15-34/h4-7,9,11,20,22,28H,3,8,10,12-16H2,1-2H3,(H,29,30)(H,31,39)(H,37,38)/t20-,22?/m0/s1 MDRQEFUKIMUQFX-AIBWNMTMSA-N 50160954 (S)-5-[(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-amino]-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL360788 Caspase-7 Homo sapiens 0.083000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160954&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389338 104047392 CHEMBL360788 ZINC28129198 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295641 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2noc(C)n2)c1=O InChI=1S/C24H28N6O6S/c1-3-18(30-10-9-25-22(24(30)35)26-12-20-27-15(2)36-29-20)23(34)28-17(11-21(32)33)19(31)14-37-13-16-7-5-4-6-8-16/h4-10,17-18H,3,11-14H2,1-2H3,(H,25,26)(H,28,34)(H,32,33)/t17-,18?/m0/s1 VBXOCZFAWPHIJQ-ZENAZSQFSA-N 50160963 (S)-5-Benzylsulfanyl-3-(2-{3-[(5-methyl-[1,2,4]oxadiazol-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL178280 Caspase-7 Homo sapiens >10 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160963&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9849846 104047401 CHEMBL178280 ZINC28129349 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295642 CCCCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C27H44N8O6/c1-5-7-8-9-10-11-13-34(4)18-28-17-23(36)20(15-24(37)38)31-26(39)22(6-2)35-14-12-29-25(27(35)40)30-16-21-19(3)32-41-33-21/h12,14,20,22,28H,5-11,13,15-18H2,1-4H3,(H,29,30)(H,31,39)(H,37,38)/t20-,22?/m0/s1 UCOGGEXRPKAPHO-AIBWNMTMSA-N 50160970 (S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-5-{[(methyl-octyl-amino)-methyl]-amino}-4-oxo-pentanoic acid::CHEMBL178514 Caspase-7 Homo sapiens 0.100000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160970&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389483 104047408 CHEMBL178514 ZINC36092930 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295653 CC[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1cccc(NC(=O)[C@H](CC(O)=O)NC(C)=O)c1=O InChI=1S/C27H32N4O9S/c1-3-21(26(39)30-19(12-23(34)35)22(33)15-41-14-17-8-5-4-6-9-17)31-11-7-10-18(27(31)40)29-25(38)20(13-24(36)37)28-16(2)32/h4-11,19-21H,3,12-15H2,1-2H3,(H,28,32)(H,29,38)(H,30,39)(H,34,35)(H,36,37)/t19-,20-,21-/m0/s1 XWTJWAAMOCNKHH-ACRUOGEOSA-N 50160960 (S)-3-{(S)-2-[3-((S)-2-Acetylamino-3-carboxy-propionylamino)-2-oxo-2H-pyridin-1-yl]-butyrylamino}-5-benzylsulfanyl-4-oxo-pentanoic acid::CHEMBL178116 Caspase-7 Homo sapiens 0.010000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160960&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389240 104047398 CHEMBL178116 ZINC28128735 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295657 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1Cc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C26H32N8O6/c1-3-21(34-9-8-28-24(26(34)39)29-11-20-16(2)31-40-32-20)25(38)30-19(10-23(36)37)22(35)12-27-15-33-13-17-6-4-5-7-18(17)14-33/h4-9,19,21,27H,3,10-15H2,1-2H3,(H,28,29)(H,30,38)(H,36,37)/t19-,21?/m0/s1 HDXDXAKYCMKPSF-ZQRQZVKFSA-N 50160977 (S)-5-[(1,3-Dihydro-isoindol-2-ylmethyl)-amino]-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL367356 Caspase-7 Homo sapiens 0.130000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160977&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389347 104047415 CHEMBL367356 ZINC28132754 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295658 CCOCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C22H34N8O7/c1-5-17(30-8-7-24-20(22(30)35)25-10-16-14(3)27-37-28-16)21(34)26-15(9-19(32)33)18(31)11-23-12-29(4)13-36-6-2/h7-8,15,17,23H,5-6,9-13H2,1-4H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/m0/s1 IYUHLZOWOKCWMK-MYJWUSKBSA-N 50160978 (S)-5-{[(Ethoxymethyl-methyl-amino)-methyl]-amino}-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL181295 Caspase-7 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160978&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389299 104047416 CHEMBL181295 ZINC28133033 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295659 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(CC)CC InChI=1S/C31H52N8O6/c1-8-12-13-14-15-38(7)20-32-18-25(40)22(16-27(41)42)34-29(43)24(9-2)39-19-26(31(6,10-3)11-4)35-28(30(39)44)33-17-23-21(5)36-45-37-23/h19,22,24,32H,8-18,20H2,1-7H3,(H,33,35)(H,34,43)(H,41,42)/t22-,24?/m0/s1 MTGSTDMYYFQKEE-OWJIYDKWSA-N 50160969 (S)-3-(2-{5-(1-Ethyl-1-methyl-propyl)-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-5-{[(hexyl-methyl-amino)-methyl]-amino}-4-oxo-pentanoic acid::CHEMBL362074 Caspase-7 Homo sapiens 0.087000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160969&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389544 104047407 CHEMBL362074 ZINC28137454 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295664 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCCC1)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C22H32N8O6/c1-3-17(30-9-6-24-20(22(30)35)25-11-16-14(2)27-36-28-16)21(34)26-15(10-19(32)33)18(31)12-23-13-29-7-4-5-8-29/h6,9,15,17,23H,3-5,7-8,10-13H2,1-2H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/m0/s1 ZXYUJUZVJDHMDR-MYJWUSKBSA-N 50160956 (S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-5-[(pyrrolidin-1-ylmethyl)-amino]-pentanoic acid::CHEMBL424789 Caspase-7 Homo sapiens 0.410000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160956&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389306 104047394 CHEMBL424789 ZINC28136346 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295678 CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C24H38N8O6/c1-5-7-8-10-31(4)15-25-14-20(33)17(12-21(34)35)28-23(36)19(6-2)32-11-9-26-22(24(32)37)27-13-18-16(3)29-38-30-18/h9,11,17,19,25H,5-8,10,12-15H2,1-4H3,(H,26,27)(H,28,36)(H,34,35)/t17-,19?/m0/s1 GGRODTCKLDDOBP-KKFHFHRHSA-N 50160981 (S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-5-{[(methyl-pentyl-amino)-methyl]-amino}-4-oxo-pentanoic acid::CHEMBL181623 Caspase-7 Homo sapiens 0.110000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160981&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389458 104047419 CHEMBL181623 ZINC28135955 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295685 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(C)C)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C20H30N8O6/c1-5-15(19(32)24-13(8-17(30)31)16(29)10-21-11-27(3)4)28-7-6-22-18(20(28)33)23-9-14-12(2)25-34-26-14/h6-7,13,15,21H,5,8-11H2,1-4H3,(H,22,23)(H,24,32)(H,30,31)/t13-,15?/m0/s1 XIMSCIZHMWOJHC-CFMCSPIPSA-N 50160967 (S)-5-(Dimethylaminomethyl-amino)-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL181027 Caspase-7 Homo sapiens 0.310000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160967&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389245 104047405 CHEMBL181027 ZINC28133559 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295689 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O InChI=1S/C24H27N5O5S2/c1-2-19(29-9-8-26-22(24(29)34)27-12-17-11-25-15-36-17)23(33)28-18(10-21(31)32)20(30)14-35-13-16-6-4-3-5-7-16/h3-9,11,15,18-19H,2,10,12-14H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t18-,19?/m0/s1 MBPKVWLXSMFUMN-OYKVQYDMSA-N 50160973 (S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol-5-ylmethyl)-amino]-2H-pyrazin-1-yl}-butyrylamino)-pentanoic acid::CHEMBL180273 Caspase-7 Homo sapiens 0.490000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160973&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9871631 104047411 CHEMBL180273 ZINC28122494 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295690 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCc2nc(C)no2)c1=O InChI=1S/C26H32N6O6S/c1-3-20(32-13-12-28-24(26(32)37)27-11-7-10-22-29-17(2)31-38-22)25(36)30-19(14-23(34)35)21(33)16-39-15-18-8-5-4-6-9-18/h4-6,8-9,12-13,19-20H,3,7,10-11,14-16H2,1-2H3,(H,27,28)(H,30,36)(H,34,35)/t19-,20?/m0/s1 KSIBLECLZAACGQ-XJDOXCRVSA-N 50160983 (S)-5-Benzylsulfanyl-3-(2-{3-[3-(3-methyl-[1,2,4]oxadiazol-5-yl)-propylamino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL361983 Caspase-7 Homo sapiens 2.6 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160983&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389310 104047421 CHEMBL361983 ZINC28137329 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295695 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@@H](C)c1ccccc1)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C25H31N7O6/c1-4-20(32-11-10-26-23(25(32)37)28-13-19-16(3)30-38-31-19)24(36)29-18(12-22(34)35)21(33)14-27-15(2)17-8-6-5-7-9-17/h5-11,15,18,20,27H,4,12-14H2,1-3H3,(H,26,28)(H,29,36)(H,34,35)/t15-,18-,20?/m0/s1 INTJRTIYLCEHRJ-JBJJAQNESA-N 50160964 (S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-5-((S)-1-phenyl-ethylamino)-pentanoic acid::CHEMBL181274 Caspase-7 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160964&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389297 104047402 CHEMBL181274 ZINC28134278 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295702 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2ccon2)c1=O InChI=1S/C24H27N5O6S/c1-2-19(29-10-9-25-22(24(29)34)26-13-17-8-11-35-28-17)23(33)27-18(12-21(31)32)20(30)15-36-14-16-6-4-3-5-7-16/h3-11,18-19H,2,12-15H2,1H3,(H,25,26)(H,27,33)(H,31,32)/t18-,19?/m0/s1 QLHDEYZCVHOGEF-OYKVQYDMSA-N 50160975 (S)-5-Benzylsulfanyl-3-(2-{3-[(isoxazol-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL362191 Caspase-7 Homo sapiens 5.2 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160975&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9892652 104047413 CHEMBL362191 ZINC28132675 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295703 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O InChI=1S/C25H29N5O6S/c1-3-20(30-10-9-26-23(25(30)35)27-13-18-11-16(2)29-36-18)24(34)28-19(12-22(32)33)21(31)15-37-14-17-7-5-4-6-8-17/h4-11,19-20H,3,12-15H2,1-2H3,(H,26,27)(H,28,34)(H,32,33)/t19-,20?/m0/s1 GEZSSSVQIGDDMR-XJDOXCRVSA-N 50160972 (S)-5-Benzylsulfanyl-3-(2-{3-[(3-methyl-isoxazol-5-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL180763 Caspase-7 Homo sapiens 2.5 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160972&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9958554 104047410 CHEMBL180763 ZINC28129894 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295705 CCCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)/p+1 XIMITGPWYYFUQF-UHFFFAOYSA-O 50160974 CHEMBL366927::[3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-carboxy-2-oxo-butyl]-hexyl-methyl-ammonium; chloride Caspase-7 Homo sapiens 0.013000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160974&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 91933271 104047412 CHEMBL366927 ZINC28136084 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295708 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O InChI=1S/C24H32N4O6S/c1-3-19(28-12-11-26-22(24(28)33)25-10-7-13-34-2)23(32)27-18(14-21(30)31)20(29)16-35-15-17-8-5-4-6-9-17/h4-6,8-9,11-12,18-19H,3,7,10,13-16H2,1-2H3,(H,25,26)(H,27,32)(H,30,31)/t18-,19?/m0/s1 HIBILFREOVFCHQ-OYKVQYDMSA-N 50160988 (S)-5-Benzylsulfanyl-3-{2-[3-(3-methoxy-propylamino)-2-oxo-2H-pyrazin-1-yl]-butyrylamino}-4-oxo-pentanoic acid::CHEMBL359643 Caspase-7 Homo sapiens 9.7 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160988&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9892350 104047426 CHEMBL359643 ZINC28122480 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295711 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O InChI=1S/C25H28N4O5S2/c1-2-20(29-11-10-26-23(25(29)34)27-14-18-9-6-12-36-18)24(33)28-19(13-22(31)32)21(30)16-35-15-17-7-4-3-5-8-17/h3-12,19-20H,2,13-16H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t19-,20?/m0/s1 DONUNLOVYIQJNS-XJDOXCRVSA-N 50160949 (S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiophen-2-ylmethyl)-amino]-2H-pyrazin-1-yl}-butyrylamino)-pentanoic acid::CHEMBL361613 Caspase-7 Homo sapiens 0.810000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160949&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9936767 104047387 CHEMBL361613 ZINC28136335 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295719 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCOCC1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C InChI=1S/C26H40N8O7/c1-6-19(24(38)29-17(11-22(36)37)20(35)13-27-15-33-7-9-40-10-8-33)34-14-21(26(3,4)5)30-23(25(34)39)28-12-18-16(2)31-41-32-18/h14,17,19,27H,6-13,15H2,1-5H3,(H,28,30)(H,29,38)(H,36,37)/t17-,19?/m0/s1 ZFUKMGBZRXETJQ-KKFHFHRHSA-N 50160979 (S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-5-[(morpholin-4-ylmethyl)-amino]-4-oxo-pentanoic acid::CHEMBL178775 Caspase-7 Homo sapiens 0.540000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160979&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389236 104047417 CHEMBL178775 ZINC28128621 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295726 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O InChI=1S/C24H29N7O5S/c1-2-19(31-11-9-27-22(24(31)36)26-8-10-30-16-25-15-28-30)23(35)29-18(12-21(33)34)20(32)14-37-13-17-6-4-3-5-7-17/h3-7,9,11,15-16,18-19H,2,8,10,12-14H2,1H3,(H,26,27)(H,29,35)(H,33,34)/t18-,19?/m0/s1 GCDOZFZRBUNMDE-OYKVQYDMSA-N 50160984 (S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-[1,2,4]triazol-1-yl-ethylamino)-2H-pyrazin-1-yl]-butyrylamino}-pentanoic acid::CHEMBL181948 Caspase-7 Homo sapiens 9.7 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160984&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9871570 104047422 CHEMBL181948 ZINC28133114 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295727 CCC(C(=O)N[C@@H](CC(O)=O)C(C)=O)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C InChI=1S/C21H30N6O6/c1-7-15(19(31)23-13(12(3)28)8-17(29)30)27-10-16(21(4,5)6)24-18(20(27)32)22-9-14-11(2)25-33-26-14/h10,13,15H,7-9H2,1-6H3,(H,22,24)(H,23,31)(H,29,30)/t13-,15?/m0/s1 SHHIOGGLCRQOHT-CFMCSPIPSA-N 50160955 (S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL178339 Caspase-7 Homo sapiens 0.480000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160955&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389340 104047393 CHEMBL178339 ZINC28129930 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295730 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C InChI=1S/C29H48N8O6/c1-8-10-11-12-13-36(7)18-30-16-23(38)20(14-25(39)40)32-27(41)22(9-2)37-17-24(29(4,5)6)33-26(28(37)42)31-15-21-19(3)34-43-35-21/h17,20,22,30H,8-16,18H2,1-7H3,(H,31,33)(H,32,41)(H,39,40)/t20-,22?/m0/s1 SFDIMTVHWVLTIP-AIBWNMTMSA-N 50160989 (S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-5-{[(hexyl-methyl-amino)-methyl]-amino}-4-oxo-pentanoic acid::CHEMBL361825 Caspase-7 Homo sapiens 0.042000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160989&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389532 104047427 CHEMBL361825 ZINC28135602 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295733 CCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C23H36N8O6/c1-5-7-9-30(4)14-24-13-19(32)16(11-20(33)34)27-22(35)18(6-2)31-10-8-25-21(23(31)36)26-12-17-15(3)28-37-29-17/h8,10,16,18,24H,5-7,9,11-14H2,1-4H3,(H,25,26)(H,27,35)(H,33,34)/t16-,18?/m0/s1 CSEDBYKWGJUWMQ-ATNAJCNCSA-N 50160971 (S)-5-{[(Butyl-methyl-amino)-methyl]-amino}-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL179551 Caspase-7 Homo sapiens 0.130000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160971&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389337 104047409 CHEMBL179551 ZINC28129186 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295740 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)S(C)(=O)=O InChI=1S/C27H34N2O8S2/c1-17(2)26(29-24(31)13-19-12-20(39(4,35)36)10-11-23(19)37-3)27(34)28-21(14-25(32)33)22(30)16-38-15-18-8-6-5-7-9-18/h5-12,17,21,26H,13-16H2,1-4H3,(H,28,34)(H,29,31)(H,32,33)/t21-,26-/m0/s1 JYGKCHPWCXRSQJ-LVXARBLLSA-N 50160961 (S)-5-Benzylsulfanyl-3-{(S)-2-[2-(5-methanesulfonyl-2-methoxy-phenyl)-acetylamino]-3-methyl-butyrylamino}-4-oxo-pentanoic acid::CHEMBL425699 Caspase-7 Homo sapiens 0.120000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160961&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389324 104047399 CHEMBL425699 ZINC28136894 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295747 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCCCC1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C InChI=1S/C27H42N8O6/c1-6-20(25(39)30-18(12-23(37)38)21(36)14-28-16-34-10-8-7-9-11-34)35-15-22(27(3,4)5)31-24(26(35)40)29-13-19-17(2)32-41-33-19/h15,18,20,28H,6-14,16H2,1-5H3,(H,29,31)(H,30,39)(H,37,38)/t18-,20?/m0/s1 NJAQASWTRGUAGC-LROBGIAVSA-N 50160946 (S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-5-[(piperidin-1-ylmethyl)-amino]-pentanoic acid::CHEMBL434147 Caspase-7 Homo sapiens 0.130000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160946&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389319 104047384 CHEMBL434147 ZINC28137586 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295751 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1ccccc1)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C25H25N7O7/c1-3-18(32-10-9-26-22(25(32)37)27-12-17-14(2)30-39-31-17)23(36)29-16(11-20(33)34)21(35)24-28-13-19(38-24)15-7-5-4-6-8-15/h4-10,13,16,18H,3,11-12H2,1-2H3,(H,26,27)(H,29,36)(H,33,34)/t16-,18?/m0/s1 NCCIOJYCWRHZMY-ATNAJCNCSA-N 50160943 (S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-4-(5-phenyl-oxazol-2-yl)-butyric acid::CHEMBL179066 Caspase-7 Homo sapiens 0.750000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160943&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9807170 104047381 CHEMBL179066 ZINC28128287 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295752 CCC(C(=O)N[C@@H](CC(O)=O)C=O)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C16H20N6O6/c1-3-12(15(26)19-10(8-23)6-13(24)25)22-5-4-17-14(16(22)27)18-7-11-9(2)20-28-21-11/h4-5,8,10,12H,3,6-7H2,1-2H3,(H,17,18)(H,19,26)(H,24,25)/t10-,12?/m0/s1 BPPAKSZSGBPOEH-NUHJPDEHSA-N 50160965 (S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-butyric acid::CHEMBL360355 Caspase-7 Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160965&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389325 104047403 CHEMBL360355 ZINC28136898 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295755 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nnc(o2)-c2ccccc2)c1=O InChI=1S/C29H30N6O6S/c1-2-22(27(39)32-21(15-25(37)38)23(36)18-42-17-19-9-5-3-6-10-19)35-14-13-30-26(29(35)40)31-16-24-33-34-28(41-24)20-11-7-4-8-12-20/h3-14,21-22H,2,15-18H2,1H3,(H,30,31)(H,32,39)(H,37,38)/t21-,22?/m0/s1 JPCVJWQLKRHLRX-HMTLIYDFSA-N 50160980 (S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(5-phenyl-[1,3,4]oxadiazol-2-ylmethyl)-amino]-2H-pyrazin-1-yl}-butyrylamino)-pentanoic acid::CHEMBL220238 Caspase-7 Homo sapiens >10 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160980&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389295 104047418 CHEMBL220238 ZINC28133601 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295770 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C InChI=1S/C29H38N6O6/c1-6-22(27(39)31-20(15-25(37)38)23(36)14-10-13-19-11-8-7-9-12-19)35-17-24(29(3,4)5)32-26(28(35)40)30-16-21-18(2)33-41-34-21/h7-9,11-12,17,20,22H,6,10,13-16H2,1-5H3,(H,30,32)(H,31,39)(H,37,38)/t20-,22?/m0/s1 YSDNTHYUFYFOEN-AIBWNMTMSA-N 50160976 (3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiazol-3-yl)methylamino)-2-oxopyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid::(S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-7-phenyl-heptanoic acid::CHEMBL180623 Caspase-7 Homo sapiens 0.140000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160976&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389351 104047414 CHEMBL180623 ZINC28132947 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295771 CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C InChI=1S/C28H46N8O6/c1-8-10-11-12-35(7)17-29-15-22(37)19(13-24(38)39)31-26(40)21(9-2)36-16-23(28(4,5)6)32-25(27(36)41)30-14-20-18(3)33-42-34-20/h16,19,21,29H,8-15,17H2,1-7H3,(H,30,32)(H,31,40)(H,38,39)/t19-,21?/m0/s1 CKRCPAGGKUFVIT-ZQRQZVKFSA-N 50160987 (S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-5-{[(methyl-pentyl-amino)-methyl]-amino}-4-oxo-pentanoic acid::CHEMBL180669 Caspase-7 Homo sapiens 0.036000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160987&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389545 104047425 CHEMBL180669 ZINC28136590 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295772 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1 InChI=1S/C29H40N4O11/c1-16(2)26(29(44)32-20(14-24(38)39)22(35)11-7-10-18-8-5-4-6-9-18)33-27(42)19(12-13-23(36)37)31-28(43)21(15-25(40)41)30-17(3)34/h4-6,8-9,16,19-21,26H,7,10-15H2,1-3H3,(H,30,34)(H,31,43)(H,32,44)(H,33,42)(H,36,37)(H,38,39)(H,40,41)/t19-,20-,21-,26-/m0/s1 NHHJXCJHJPGPEF-JYEBCORGSA-N 10652 (3S)-3-[(2S)-2-[(4S)-4-[(3S)-3-acetamido-3-formamidopropanoic acid]-4-formamidobutanoic acid]-3-methylbutanamido]-4-oxo-7-phenylheptanoic acid::CHEMBL443565::Compound 2::PHENYL-PROPYL-KETONE INHIBITOR Caspase-7 Homo sapiens 0.008000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10652&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9852052 46511251 CHEMBL443565 ZINC03976004 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295779 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCC2COc3ccccc3O2)c1=O InChI=1S/C29H32N4O7S/c1-2-22(28(37)32-21(14-26(35)36)23(34)18-41-17-19-8-4-3-5-9-19)33-13-12-30-27(29(33)38)31-15-20-16-39-24-10-6-7-11-25(24)40-20/h3-13,20-22H,2,14-18H2,1H3,(H,30,31)(H,32,37)(H,35,36)/t20?,21-,22?/m0/s1 BTAFTKGHXXQLHC-ORFBVSJDSA-N 50160982 (S)-5-Benzylsulfanyl-3-(2-{3-[(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL362213 Caspase-7 Homo sapiens 3.3 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160982&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9916276 104047420 CHEMBL362213 ZINC28132724 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295785 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2nc(C)cc2C)c1=O InChI=1S/C27H34N6O5S/c1-4-22(32-12-10-28-25(27(32)38)29-11-13-33-19(3)14-18(2)31-33)26(37)30-21(15-24(35)36)23(34)17-39-16-20-8-6-5-7-9-20/h5-10,12,14,21-22H,4,11,13,15-17H2,1-3H3,(H,28,29)(H,30,37)(H,35,36)/t21-,22?/m0/s1 VIKAKOARTUQKPC-HMTLIYDFSA-N 50160953 (S)-5-Benzylsulfanyl-3-(2-{3-[2-(3,5-dimethyl-pyrazol-1-yl)-ethylamino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL360020 Caspase-7 Homo sapiens >10 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160953&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9850642 104047391 CHEMBL360020 ZINC28133613 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295788 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCC(Cc2ccccc2)CC1)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C30H40N8O6/c1-3-25(38-14-11-32-28(30(38)43)33-17-24-20(2)35-44-36-24)29(42)34-23(16-27(40)41)26(39)18-31-19-37-12-9-22(10-13-37)15-21-7-5-4-6-8-21/h4-8,11,14,22-23,25,31H,3,9-10,12-13,15-19H2,1-2H3,(H,32,33)(H,34,42)(H,40,41)/t23-,25?/m0/s1 UWYWIWOJPZFFAT-LFQPHHBNSA-N 50160951 (S)-5-[(4-Benzyl-piperidin-1-ylmethyl)-amino]-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL441118 Caspase-7 Homo sapiens 0.840000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160951&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389348 104047389 CHEMBL441118 ZINC28132768 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295795 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cccn2)c1=O InChI=1S/C25H30N6O5S/c1-2-20(31-14-11-27-23(25(31)36)26-10-13-30-12-6-9-28-30)24(35)29-19(15-22(33)34)21(32)17-37-16-18-7-4-3-5-8-18/h3-9,11-12,14,19-20H,2,10,13,15-17H2,1H3,(H,26,27)(H,29,35)(H,33,34)/t19-,20?/m0/s1 WPBCCSIRQOJBIN-XJDOXCRVSA-N 50160990 (S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-pyrazol-1-yl-ethylamino)-2H-pyrazin-1-yl]-butyrylamino}-pentanoic acid::CHEMBL447233 Caspase-7 Homo sapiens >10 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160990&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9871540 104047428 CHEMBL447233 ZINC28122906 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295802 CCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C22H34N8O6/c1-5-8-29(4)13-23-12-18(31)15(10-19(32)33)26-21(34)17(6-2)30-9-7-24-20(22(30)35)25-11-16-14(3)27-36-28-16/h7,9,15,17,23H,5-6,8,10-13H2,1-4H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/m0/s1 SVQAMGNGTJSUFV-MYJWUSKBSA-N 50160991 (S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-5-{[(methyl-propyl-amino)-methyl]-amino}-4-oxo-pentanoic acid::CHEMBL181763 Caspase-7 Homo sapiens 0.320000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160991&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389326 104047429 CHEMBL181763 ZINC28136912 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295806 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C25H40N8O6/c1-5-7-8-9-11-32(4)16-26-15-21(34)18(13-22(35)36)29-24(37)20(6-2)33-12-10-27-23(25(33)38)28-14-19-17(3)30-39-31-19/h10,12,18,20,26H,5-9,11,13-16H2,1-4H3,(H,27,28)(H,29,37)(H,35,36)/t18-,20?/m0/s1 GQDJBEWJIKPEQS-LROBGIAVSA-N 50160950 (S)-5-{[(Hexyl-methyl-amino)-methyl]-amino}-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL359598 Caspase-7 Homo sapiens 0.140000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160950&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389369 104047388 CHEMBL359598 ZINC28136403 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295809 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C24H28N6O6S/c1-3-19(30-10-9-25-22(24(30)35)26-12-18-15(2)28-36-29-18)23(34)27-17(11-21(32)33)20(31)14-37-13-16-7-5-4-6-8-16/h4-10,17,19H,3,11-14H2,1-2H3,(H,25,26)(H,27,34)(H,32,33)/t17-,19?/m0/s1 ULELQXPHOSNTHT-KKFHFHRHSA-N 50160947 (S)-5-Benzylsulfanyl-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL433771 Caspase-7 Homo sapiens 0.730000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160947&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389315 104047385 CHEMBL433771 ZINC28137519 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295811 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O InChI=1S/C28H29N5O5S2/c1-3-22(27(37)32-20(14-25(35)36)23(34)16-39-15-18-7-5-4-6-8-18)33-12-11-29-26(28(33)38)31-19-9-10-24-21(13-19)30-17(2)40-24/h4-13,20,22H,3,14-16H2,1-2H3,(H,29,31)(H,32,37)(H,35,36)/t20-,22?/m0/s1 SCZQZYJOIBQIGS-AIBWNMTMSA-N 50160986 (S)-5-Benzylsulfanyl-3-{2-[3-(2-methyl-benzothiazol-5-ylamino)-2-oxo-2H-pyrazin-1-yl]-butyrylamino}-4-oxo-pentanoic acid::CHEMBL181775 Caspase-7 Homo sapiens 2.4 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160986&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9851213 104047424 CHEMBL181775 ZINC28132739 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295822 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1C2CCC1CC2)n1ccnc(NCc2nonc2C)c1=O InChI=1S/C24H34N8O6/c1-3-19(31-9-8-26-22(24(31)37)27-11-18-14(2)29-38-30-18)23(36)28-17(10-21(34)35)20(33)12-25-13-32-15-4-5-16(32)7-6-15/h8-9,15-17,19,25H,3-7,10-13H2,1-2H3,(H,26,27)(H,28,36)(H,34,35)/t15?,16?,17-,19?/m0/s1 YDWMZYBWKLFQKO-RFSHTEQGSA-N 50160985 (S)-5-[(7-Aza-bicyclo[2.2.1]hept-7-ylmethyl)-amino]-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL178674 Caspase-7 Homo sapiens 0.260000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160985&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389331 104047423 CHEMBL178674 ZINC28125331 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50295823 CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(CC)nc(NCc2nonc2C)c1=O InChI=1S/C27H44N8O6/c1-6-9-10-11-12-34(5)17-28-15-23(36)20(13-24(37)38)31-26(39)22(8-3)35-16-19(7-2)30-25(27(35)40)29-14-21-18(4)32-41-33-21/h16,20,22,28H,6-15,17H2,1-5H3,(H,29,30)(H,31,39)(H,37,38)/t20-,22?/m0/s1 QFAGZHXWKDBXGQ-AIBWNMTMSA-N 50160962 (S)-3-(2-{5-Ethyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-5-{[(hexyl-methyl-amino)-methyl]-amino}-4-oxo-pentanoic acid::CHEMBL369290 Caspase-7 Homo sapiens 0.600000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160962&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389513 104047400 CHEMBL369290 ZINC28131883 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50356352 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C28H27FN2O6S/c29-14-16-36-23-10-8-20(9-11-23)18-30-26-13-12-24(17-25(26)27(32)28(30)33)38(34,35)31-15-4-5-21(31)19-37-22-6-2-1-3-7-22/h1-3,6-13,17,21H,4-5,14-16,18-19H2/t21-/m0/s1 JVKBLHAUEXSZHN-NRFANRHFSA-N 50192784 (S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymethyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione::(S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin::1-[4-(2-fluoroethoxy)-benzyl]-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::CHEMBL213759 Caspase-7 Homo sapiens 23.5 ChEMBL 10.1016/j.bmcl.2006.07.045 10.7270/Q2J9661W 16891117 Zhou, D; Chu, W; Rothfuss, J; Zeng, C; Xu, J; Jones, L; Welch, MJ; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192784&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11533935 104075585 CHEMBL213759 ZINC37866131 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367654 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(I)cc3)C(=O)C(=O)c2c1 InChI=1S/C21H21IN2O5S/c1-29-13-16-3-2-10-24(16)30(27,28)17-8-9-19-18(11-17)20(25)21(26)23(19)12-14-4-6-15(22)7-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3/t16-/m0/s1 MBFCFVOWKKZRNA-INIZCTEOSA-N 50200306 (S)-1-(4-iodobenzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL217457 Caspase-7 Homo sapiens 1.8 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200306&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11444079 104080676 CHEMBL217457 ZINC37866137 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367661 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(O)cc3)C(=O)C(=O)c2c1 InChI=1S/C21H22N2O6S/c1-29-13-15-3-2-10-23(15)30(27,28)17-8-9-19-18(11-17)20(25)21(26)22(19)12-14-4-6-16(24)7-5-14/h4-9,11,15,24H,2-3,10,12-13H2,1H3/t15-/m0/s1 ZDXBUNGSLQDEGV-HNNXBMFYSA-N 50200307 (S)-1-(4-hydroxybenzyl)-5-[1-(2-methoxymethylpyrrolidinyl)-sulfonyl]isatin::CHEMBL217220 Caspase-7 Homo sapiens 32.3 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200307&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44417479 104080677 CHEMBL217220 ZINC37866139 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367662 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1 PFAYCUAUBOGVDX-AWEZNQCLSA-N 10320 (S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL293034::IST-2::Isatin Sulfonamide 31::Pyrrolidine Isatin Analogue 11a Caspase-7 Homo sapiens 190 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10320&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search MSI 1GFW 5288850 46510947 CHEMBL293034 DB08213 ZINC03870526 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367663 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OC)cc3)C(=O)C(=O)c2c1 InChI=1S/C22H24N2O6S/c1-29-14-16-4-3-11-24(16)31(27,28)18-9-10-20-19(12-18)21(25)22(26)23(20)13-15-5-7-17(30-2)8-6-15/h5-10,12,16H,3-4,11,13-14H2,1-2H3/t16-/m0/s1 CBWLTWDVCXFXAG-INIZCTEOSA-N 50200303 (S)-1-(4-methoxybenzyl)-5-[1-(2-methoxymethylpyrrolidinyl)-sulfonyl]isatin::CHEMBL217777 Caspase-7 Homo sapiens 4 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200303&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11510566 104080673 CHEMBL217777 ZINC37866138 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367667 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1 InChI=1S/C15H18N2O5S/c1-16-13-6-5-11(8-12(13)14(18)15(16)19)23(20,21)17-7-3-4-10(17)9-22-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1 SMINLRKVPPXJGK-JTQLQIEISA-N 50200302 (S)-5-(2-(methoxymethyl)pyrrolidin-1-ylsulfonyl)-1-methylindoline-2,3-dione::(S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-methylisatin::CHEMBL216819 Caspase-7 Homo sapiens 304 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200302&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11515586 104080672 CHEMBL216819 ZINC37866140 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367671 CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC)cc1 InChI=1S/C21H21N2O5S.3C4H9.Sn/c1-28-14-16-8-5-11-23(16)29(26,27)17-9-10-19-18(12-17)20(24)21(25)22(19)13-15-6-3-2-4-7-15;3*1-3-4-2;/h3-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3;3*1,3-4H2,2H3;/t16-;;;;/m0..../s1 YZLOAXMFYBNUPB-FXAGWRDUSA-N 50200313 (S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-(4-(tributylstannyl)benzyl)isatin::CHEMBL217822 Caspase-7 Homo sapiens 29.2 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200313&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11700402 104080683 CHEMBL217822 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367684 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCCBr)cc3)C(=O)C(=O)c2c1 InChI=1S/C23H25BrN2O6S/c1-31-15-17-3-2-11-26(17)33(29,30)19-8-9-21-20(13-19)22(27)23(28)25(21)14-16-4-6-18(7-5-16)32-12-10-24/h4-9,13,17H,2-3,10-12,14-15H2,1H3/t17-/m0/s1 CXJCEKSGEFHWMX-KRWDZBQOSA-N 50200311 (S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL216447 Caspase-7 Homo sapiens 25.7 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200311&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11591919 104080681 CHEMBL216447 ZINC37866135 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367689 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C28H27FN2O6S/c29-14-16-36-23-10-8-20(9-11-23)18-30-26-13-12-24(17-25(26)27(32)28(30)33)38(34,35)31-15-4-5-21(31)19-37-22-6-2-1-3-7-22/h1-3,6-13,17,21H,4-5,14-16,18-19H2/t21-/m0/s1 JVKBLHAUEXSZHN-NRFANRHFSA-N 50192784 (S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymethyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione::(S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin::1-[4-(2-fluoroethoxy)-benzyl]-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::CHEMBL213759 Caspase-7 Homo sapiens 22.4 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192784&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11533935 104075585 CHEMBL213759 ZINC37866131 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367690 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(O[Si](C)(C)C(C)(C)C)cc3)C(=O)C(=O)c2c1 InChI=1S/C27H36N2O6SSi/c1-27(2,3)37(5,6)35-21-11-9-19(10-12-21)17-28-24-14-13-22(16-23(24)25(30)26(28)31)36(32,33)29-15-7-8-20(29)18-34-4/h9-14,16,20H,7-8,15,17-18H2,1-6H3/t20-/m0/s1 LQXYDGHSLQNYCW-FQEVSTJZSA-N 50200308 (S)-1-(4-(tert-butyldimethylsilyloxy)benzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL387041 Caspase-7 Homo sapiens 69.8 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200308&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11548424 104080678 CHEMBL387041 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367694 BrCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C28H27BrN2O6S/c29-14-16-36-23-10-8-20(9-11-23)18-30-26-13-12-24(17-25(26)27(32)28(30)33)38(34,35)31-15-4-5-21(31)19-37-22-6-2-1-3-7-22/h1-3,6-13,17,21H,4-5,14-16,18-19H2/t21-/m0/s1 YZZZZAGTJYSDAA-NRFANRHFSA-N 50200315 (S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL385930 Caspase-7 Homo sapiens 42 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200315&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11699954 104080685 CHEMBL385930 ZINC37866134 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367700 Ic1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C26H23IN2O5S/c27-19-10-8-18(9-11-19)16-28-24-13-12-22(15-23(24)25(30)26(28)31)35(32,33)29-14-4-5-20(29)17-34-21-6-2-1-3-7-21/h1-3,6-13,15,20H,4-5,14,16-17H2/t20-/m0/s1 OOMWRPAWHLYIEI-FQEVSTJZSA-N 50200305 (S)-1-(4-iodobenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)isatin::(S)-1-(4-iodobenzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL384023 Caspase-7 Homo sapiens 18.6 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200305&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11548909 104080675 CHEMBL384023 ZINC37866136 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367705 CC(C)(C)[Si](C)(C)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C32H38N2O6SSi/c1-32(2,3)42(4,5)40-26-15-13-23(14-16-26)21-33-29-18-17-27(20-28(29)30(35)31(33)36)41(37,38)34-19-9-10-24(34)22-39-25-11-7-6-8-12-25/h6-8,11-18,20,24H,9-10,19,21-22H2,1-5H3/t24-/m0/s1 ULYGADBUPXIMGK-DEOSSOPVSA-N 50200314 (S)-1-(4-(tert-butyldimethylsilyloxy)benzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL217821 Caspase-7 Homo sapiens 366 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200314&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11664423 104080684 CHEMBL217821 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367707 Cc1ccc(cc1)S(=O)(=O)OCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C35H34N2O9S2/c1-25-9-15-30(16-10-25)48(42,43)46-21-20-44-29-13-11-26(12-14-29)23-36-33-18-17-31(22-32(33)34(38)35(36)39)47(40,41)37-19-5-6-27(37)24-45-28-7-3-2-4-8-28/h2-4,7-18,22,27H,5-6,19-21,23-24H2,1H3/t27-/m0/s1 RRBOQMCBPIXZCY-MHZLTWQESA-N 50200310 (S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL386510 Caspase-7 Homo sapiens 50.9 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200310&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11628992 104080680 CHEMBL386510 ZINC37866132 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367708 Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C26H24N2O6S/c29-20-10-8-18(9-11-20)16-27-24-13-12-22(15-23(24)25(30)26(27)31)35(32,33)28-14-4-5-19(28)17-34-21-6-2-1-3-7-21/h1-3,6-13,15,19,29H,4-5,14,16-17H2/t19-/m0/s1 KYJSQQPQAAKFQY-IBGZPJMESA-N 10334 (S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(4-hydroxyphenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL200927::Pyrrolidine Isatin Analogue 11f Caspase-7 Homo sapiens 52.7 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10334&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11712912 46510958 CHEMBL200927 ZINC13676462 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367715 CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C26H23N2O5S.3C4H9.Sn/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21;3*1-3-4-2;/h2-6,8-9,11-14,16,20H,7,10,15,17-18H2;3*1,3-4H2,2H3;/t20-;;;;/m0..../s1 KCEFQOPTBXZIFF-YAVGSXOASA-N 50200304 (S)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]-1-(4-(tributylstannyl)benzyl)isatin::CHEMBL386464 Caspase-7 Homo sapiens 42.8 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200304&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11614728 104080674 CHEMBL386464 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50372526 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NC(CC(C)C)C(O)=O)c1=O)C(C)(C)C InChI=1S/C31H44N4O7/c1-7-23(28(39)33-21(17-26(37)38)24(36)15-11-14-20-12-9-8-10-13-20)35-18-25(31(4,5)6)34-27(29(35)40)32-22(30(41)42)16-19(2)3/h8-10,12-13,18-19,21-23H,7,11,14-17H2,1-6H3,(H,32,34)(H,33,39)(H,37,38)(H,41,42)/t21-,22?,23?/m0/s1 VHRFTKXADAZJCT-UVKLAMSESA-N 50203362 (3S)-3-(2-(5-tert-butyl-3-(1-carboxy-3-methylbutylamino)-2-oxopyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid::CHEMBL396625 Caspase-7 Homo sapiens 3490 ChEMBL 10.1016/j.bmcl.2006.12.110 10.7270/Q22R3RBJ 17251019 Isabel, E; Aspiotis, R; Black, WC; Colucci, J; Fortin, R; Giroux, A; Grimm, EL; Han, Y; Mellon, C; Nicholson, DW; Rasper, DM; Renaud, J; Roy, S; Tam, J; Tawa, P; Vaillancourt, JP; Xanthoudakis, S; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203362&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44438441 104082560 CHEMBL396625 ZINC53188907 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50372527 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C InChI=1S/C29H38N6O6/c1-6-22(27(39)31-20(15-25(37)38)23(36)14-10-13-19-11-8-7-9-12-19)35-17-24(29(3,4)5)32-26(28(35)40)30-16-21-18(2)33-41-34-21/h7-9,11-12,17,20,22H,6,10,13-16H2,1-5H3,(H,30,32)(H,31,39)(H,37,38)/t20-,22?/m0/s1 YSDNTHYUFYFOEN-AIBWNMTMSA-N 50160976 (3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiazol-3-yl)methylamino)-2-oxopyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid::(S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-7-phenyl-heptanoic acid::CHEMBL180623 Caspase-7 Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2006.12.110 10.7270/Q22R3RBJ 17251019 Isabel, E; Aspiotis, R; Black, WC; Colucci, J; Fortin, R; Giroux, A; Grimm, EL; Han, Y; Mellon, C; Nicholson, DW; Rasper, DM; Renaud, J; Roy, S; Tam, J; Tawa, P; Vaillancourt, JP; Xanthoudakis, S; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160976&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44389351 104047414 CHEMBL180623 ZINC28132947 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50372532 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2cc(OC)cc(OC)c2)c1=O)C(C)(C)C InChI=1S/C34H44N4O7/c1-7-27(32(42)36-26(19-30(40)41)28(39)15-11-14-22-12-9-8-10-13-22)38-21-29(34(2,3)4)37-31(33(38)43)35-20-23-16-24(44-5)18-25(17-23)45-6/h8-10,12-13,16-18,21,26-27H,7,11,14-15,19-20H2,1-6H3,(H,35,37)(H,36,42)(H,40,41)/t26-,27?/m0/s1 DWGRSJBIHVFBFL-QBHOUYDASA-N 50203363 (3S)-3-(2-(3-(3,5-dimethoxybenzylamino)-5-tert-butyl-2-oxopyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid::CHEMBL246887 Caspase-7 Homo sapiens 800 ChEMBL 10.1016/j.bmcl.2006.12.110 10.7270/Q22R3RBJ 17251019 Isabel, E; Aspiotis, R; Black, WC; Colucci, J; Fortin, R; Giroux, A; Grimm, EL; Han, Y; Mellon, C; Nicholson, DW; Rasper, DM; Renaud, J; Roy, S; Tam, J; Tawa, P; Vaillancourt, JP; Xanthoudakis, S; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203363&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44438443 104082561 CHEMBL246887 ZINC28880666 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50372538 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCCc2cccs2)c1=O)C(C)(C)C InChI=1S/C31H40N4O5S/c1-5-24(29(39)33-23(19-27(37)38)25(36)15-9-13-21-11-7-6-8-12-21)35-20-26(31(2,3)4)34-28(30(35)40)32-17-16-22-14-10-18-41-22/h6-8,10-12,14,18,20,23-24H,5,9,13,15-17,19H2,1-4H3,(H,32,34)(H,33,39)(H,37,38)/t23-,24?/m0/s1 IYNNJMRCPJPTMI-UXMRNZNESA-N 50203366 (3S)-3-(2-(5-tert-butyl-2-oxo-3-(2-(thiophen-2-yl)ethylamino)pyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid::CHEMBL392245 Caspase-7 Homo sapiens 920 ChEMBL 10.1016/j.bmcl.2006.12.110 10.7270/Q22R3RBJ 17251019 Isabel, E; Aspiotis, R; Black, WC; Colucci, J; Fortin, R; Giroux, A; Grimm, EL; Han, Y; Mellon, C; Nicholson, DW; Rasper, DM; Renaud, J; Roy, S; Tam, J; Tawa, P; Vaillancourt, JP; Xanthoudakis, S; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203366&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44438442 104082564 CHEMBL392245 ZINC28880651 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50372542 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C InChI=1S/C26H34N8O5/c1-5-18(34-15-20(26(2,3)4)28-22(24(34)39)29-25-30-32-33-31-25)23(38)27-17(14-21(36)37)19(35)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17-18H,5,9,12-14H2,1-4H3,(H,27,38)(H,36,37)(H2,28,29,30,31,32,33)/t17-,18?/m0/s1 PSEYKDQFSOGYNR-ZENAZSQFSA-N 50203361 (3S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-butyl-2-oxopyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid::CHEMBL248508 Caspase-7 Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2006.12.110 10.7270/Q22R3RBJ 17251019 Isabel, E; Aspiotis, R; Black, WC; Colucci, J; Fortin, R; Giroux, A; Grimm, EL; Han, Y; Mellon, C; Nicholson, DW; Rasper, DM; Renaud, J; Roy, S; Tam, J; Tawa, P; Vaillancourt, JP; Xanthoudakis, S; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203361&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16725993 104082559 CHEMBL248508 ZINC28880693 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50372550 CCCCCC[NH+](C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C InChI=1S/C25H41N9O5/c1-7-9-10-11-12-33(6)14-18(35)16(13-20(36)37)26-22(38)17(8-2)34-15-19(25(3,4)5)27-21(23(34)39)28-24-29-31-32-30-24/h15-17H,7-14H2,1-6H3,(H,26,38)(H,36,37)(H2,27,28,29,30,31,32)/p+1/t16-,17?/m0/s1 UUEMWRIOZLIPHU-BHWOMJMDSA-O 50203364 CHEMBL248310::N-((S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-butyl-2-oxopyrazin-1(2H)-yl)butanamido)-4-carboxy-2-oxobutyl)-N-methylhexan-1-aminium 2,2,2-trifluoroacetate Caspase-7 Homo sapiens 64.7 ChEMBL 10.1016/j.bmcl.2006.12.110 10.7270/Q22R3RBJ 17251019 Isabel, E; Aspiotis, R; Black, WC; Colucci, J; Fortin, R; Giroux, A; Grimm, EL; Han, Y; Mellon, C; Nicholson, DW; Rasper, DM; Renaud, J; Roy, S; Tam, J; Tawa, P; Vaillancourt, JP; Xanthoudakis, S; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203364&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44438445 104082562 CHEMBL248310 ZINC28880705 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50372552 CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2ccc3OCCOc3c2)c1=O)C(C)(C)C InChI=1S/C33H40N4O7/c1-5-24(31(41)35-23(19-29(39)40)25(38)13-9-12-21-10-7-6-8-11-21)37-20-28(33(2,3)4)36-30(32(37)42)34-22-14-15-26-27(18-22)44-17-16-43-26/h6-8,10-11,14-15,18,20,23-24H,5,9,12-13,16-17,19H2,1-4H3,(H,34,36)(H,35,41)(H,39,40)/t23-,24?/m0/s1 VIUJQQJJJZNKDP-UXMRNZNESA-N 50203365 (3S)-3-(2-(5-tert-butyl-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-ylamino)-2-oxopyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid::CHEMBL248309 Caspase-7 Homo sapiens 280 ChEMBL 10.1016/j.bmcl.2006.12.110 10.7270/Q22R3RBJ 17251019 Isabel, E; Aspiotis, R; Black, WC; Colucci, J; Fortin, R; Giroux, A; Grimm, EL; Han, Y; Mellon, C; Nicholson, DW; Rasper, DM; Renaud, J; Roy, S; Tam, J; Tawa, P; Vaillancourt, JP; Xanthoudakis, S; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203365&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44438444 104082563 CHEMBL248309 ZINC28880680 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50368528 Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 InChI=1S/C49H67N7O14S/c1-30-14-13-15-31(2)43(30)47(66)69-28-37(57)35(26-42(62)63)53-45(64)33(52-46(65)34(22-23-41(60)61)55-49(68)70-27-32-16-5-3-6-17-32)18-10-12-25-51-39(58)20-7-4-11-24-50-40(59)21-9-8-19-38-44-36(29-71-38)54-48(67)56-44/h3,5-6,13-17,33-36,38,44H,4,7-12,18-29H2,1-2H3,(H,50,59)(H,51,58)(H,52,65)(H,53,64)(H,55,68)(H,60,61)(H,62,63)(H2,54,56,67)/t33-,34-,35-,36-,38?,44-/m0/s1 DOBIYIOPZIMMRH-AMBBWHSESA-N 50200932 (3S)-3-[(2S)-6-(6-{5-[(3aS,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}hexanamido)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-carboxybutanamido]hexanamido]-5-[(2,6-dimethylphenyl)carbonyloxy]-4-oxopentanoic acid::CHEMBL221870 Caspase-7 Homo sapiens 1200 ChEMBL 10.1021/jm060385h 10.7270/Q2319VJT 17181147 Henzing, AJ; Dodson, H; Reid, JM; Kaufmann, SH; Baxter, RL; Earnshaw, WC University of Edinburgh http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200932&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44418960 104080935 CHEMBL221870 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367607 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C19H18N2O5S/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)/t13-/m0/s1 QKVWMYQCBWNCQH-ZDUSSCGKSA-N 10318 (S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL62993::Isatin Sulfonamide 29::Pyrrolidine Isatin Analogue 10 Caspase-7 Homo sapiens 294 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10318&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9821545 46510945 CHEMBL62993 ZINC13676453 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367613 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCCF)cc3)C(=O)C(=O)c2c1 InChI=1S/C23H25FN2O6S/c1-31-15-17-3-2-11-26(17)33(29,30)19-8-9-21-20(13-19)22(27)23(28)25(21)14-16-4-6-18(7-5-16)32-12-10-24/h4-9,13,17H,2-3,10-12,14-15H2,1H3/t17-/m0/s1 CLVRDSQHWNEIQR-KRWDZBQOSA-N 50200309 (S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL215480 Caspase-7 Homo sapiens 93.3 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200309&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11598106 104080679 CHEMBL215480 ZINC35328289 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367624 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCCOS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)C(=O)c2c1 InChI=1S/C30H32N2O9S2/c1-21-5-11-25(12-6-21)43(37,38)41-17-16-40-24-9-7-22(8-10-24)19-31-28-14-13-26(18-27(28)29(33)30(31)34)42(35,36)32-15-3-4-23(32)20-39-2/h5-14,18,23H,3-4,15-17,19-20H2,1-2H3/t23-/m0/s1 VXDALODUEXZZKU-QHCPKHFHSA-N 50200312 (S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL216071 Caspase-7 Homo sapiens 13.8 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200312&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11541867 104080682 CHEMBL216071 ZINC37866133 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367627 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1 SLQMNVJNDYLJSF-VIFPVBQESA-N 10305 (S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isatin::5-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60190::Isatin Sulfonamide 16 Caspase-7 Homo sapiens 1290 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10305&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9840223 46510932 CHEMBL60190 ZINC03871900 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50367651 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C27H26N2O6S/c1-34-21-11-9-19(10-12-21)17-28-25-14-13-23(16-24(25)26(30)27(28)31)36(32,33)29-15-5-6-20(29)18-35-22-7-3-2-4-8-22/h2-4,7-14,16,20H,5-6,15,17-18H2,1H3/t20-/m0/s1 RGKPGQYSJPTIFN-FQEVSTJZSA-N 10330 (S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(4-methoxyphenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL200677::Pyrrolidine Isatin Analogue 11b Caspase-7 Homo sapiens 31.2 ChEMBL 10.1021/jm051217c 10.7270/Q2513XV1 17154501 Kopka, K; Faust, A; Keul, P; Wagner, S; Breyholz, HJ; Holtke, C; Schober, O; Schafers, M; Levkau, B University Hospital of the Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10330&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9914167 46510954 CHEMBL200677 ZINC13676455 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391424 Brc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C26H23BrN2O5S/c27-19-10-8-18(9-11-19)16-28-24-13-12-22(15-23(24)25(30)26(28)31)35(32,33)29-14-4-5-20(29)17-34-21-6-2-1-3-7-21/h1-3,6-13,15,20H,4-5,14,16-17H2/t20-/m0/s1 WXJHOKNCTBSTEM-FQEVSTJZSA-N 50216414 1-(4-bromo-benzyl)-5-(2-Phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::CHEMBL376112 Caspase-7 Homo sapiens 34.8 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216414&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16749267 104090772 CHEMBL376112 ZINC28702250 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391426 Brc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 InChI=1S/C25H22BrN3O5S/c26-18-7-5-17(6-8-18)15-28-23-10-9-21(13-22(23)24(30)25(28)31)35(32,33)29-12-2-3-19(29)16-34-20-4-1-11-27-14-20/h1,4-11,13-14,19H,2-3,12,15-16H2/t19-/m0/s1 ZUPAARUJOOKFLI-IBGZPJMESA-N 50216416 1-(4-bromo-benzyl)-5-[2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl]-1H-indole-2,3-dione::CHEMBL227036 Caspase-7 Homo sapiens 6.6 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216416&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16749268 104090774 CHEMBL227036 ZINC28702255 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391427 O=C1Nc2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C22H18N4O4S/c23-12-15(13-24)21-19-11-18(8-9-20(19)25-22(21)27)31(28,29)26-10-4-5-16(26)14-30-17-6-2-1-3-7-17/h1-3,6-9,11,16H,4-5,10,14H2,(H,25,27)/t16-/m0/s1 QPUCXRHTRZYTHM-INIZCTEOSA-N 50216423 2-[2-oxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1,2-dihydro-indol-3-yl-idene]-malononitrile::CHEMBL376760 Caspase-7 Homo sapiens 1585 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216423&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16749067 104090781 CHEMBL376760 ZINC36093009 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391443 Oc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 InChI=1S/C28H23N5O5S/c29-14-20(15-30)27-25-13-24(9-10-26(25)32(28(27)35)17-19-5-7-22(34)8-6-19)39(36,37)33-12-2-3-21(33)18-38-23-4-1-11-31-16-23/h1,4-11,13,16,21,34H,2-3,12,17-18H2/t21-/m0/s1 SGCCOMRNSQLMBS-NRFANRHFSA-N 50216417 2-{1-(4-hydroxy-benzyl)-2-oxo-5-[2-(pyridine-3-yloxymethyl)-pyrrolidine-1-sulfonyl]-1,2-dihydro-indol-3-yl-idene}-malononitrile::CHEMBL226881 Caspase-7 Homo sapiens 28.3 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216417&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16749163 104090775 CHEMBL226881 ZINC36093015 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391444 Oc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C29H24N4O5S/c30-16-21(17-31)28-26-15-25(12-13-27(26)32(29(28)35)18-20-8-10-23(34)11-9-20)39(36,37)33-14-4-5-22(33)19-38-24-6-2-1-3-7-24/h1-3,6-13,15,22,34H,4-5,14,18-19H2/t22-/m0/s1 RJRPHOZHPSJWDG-QFIPXVFZSA-N 50216422 2-[1-(hydroxy-benzyl-2-oxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1,2-dihydro-indol-3-yl-idene]-malononitrile::CHEMBL427283 Caspase-7 Homo sapiens 126 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216422&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16749161 104090780 CHEMBL427283 ZINC36093012 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391453 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 InChI=1S/C29H25N5O5S/c1-38-23-8-6-20(7-9-23)18-33-27-11-10-25(14-26(27)28(29(33)35)21(15-30)16-31)40(36,37)34-13-3-4-22(34)19-39-24-5-2-12-32-17-24/h2,5-12,14,17,22H,3-4,13,18-19H2,1H3/t22-/m0/s1 GCMPIGBMARKLRF-QFIPXVFZSA-N 50216419 2-{1-(4-methoxy-benzyl)-2-oxo-5-[2-(pyridin-3-yloxymethyl)-pyrrolidine-1-sulfonyl]-1,2-dihydro-indol-3-yl-idene}-malononitrile::CHEMBL427284 Caspase-7 Homo sapiens 29.6 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216419&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16749164 104090777 CHEMBL427284 ZINC36093017 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391460 Brc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 InChI=1S/C28H22BrN5O4S/c29-21-7-5-19(6-8-21)17-33-26-10-9-24(13-25(26)27(28(33)35)20(14-30)15-31)39(36,37)34-12-2-3-22(34)18-38-23-4-1-11-32-16-23/h1,4-11,13,16,22H,2-3,12,17-18H2/t22-/m0/s1 SUOKKLHLOJQAFP-QFIPXVFZSA-N 50216418 2-{1-(4-bromo-benzyl)-2-oxo-5-[2-(pyridine-3-yloxymethyl)-pyrrolidine-1-sulfonyl]-1,2-dihydro-indol-3-yl-idene}-malononitrile::CHEMBL387556 Caspase-7 Homo sapiens 26.3 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216418&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16749271 104090776 CHEMBL387556 ZINC36093016 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391461 Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 InChI=1S/C25H23N3O6S/c29-19-7-5-17(6-8-19)15-27-23-10-9-21(13-22(23)24(30)25(27)31)35(32,33)28-12-2-3-18(28)16-34-20-4-1-11-26-14-20/h1,4-11,13-14,18,29H,2-3,12,15-16H2/t18-/m0/s1 OCRBUZYTFNEEGD-SFHVURJKSA-N 50216421 1-(4-hydroxy-benzyl)-5-[2-(pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl]-1H-indole-2,3-dione::CHEMBL227035 Caspase-7 Homo sapiens 11.7 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216421&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16749068 104090779 CHEMBL227035 ZINC28702252 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391463 O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C29H24N4O4S/c30-17-22(18-31)28-26-16-25(13-14-27(26)32(29(28)34)19-21-8-3-1-4-9-21)38(35,36)33-15-7-10-23(33)20-37-24-11-5-2-6-12-24/h1-6,8-9,11-14,16,23H,7,10,15,19-20H2/t23-/m0/s1 CNRQFHSEEJMLKI-QHCPKHFHSA-N 29588 CHEMBL226779::isatin Michael acceptor (IMA) analogue, 3 Caspase-7 Homo sapiens 51.7 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29588&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16749269 81055017 CHEMBL226779 ZINC36093011 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391466 CN1C(=O)C(=C(C#N)C#N)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C23H20N4O4S/c1-26-21-10-9-19(12-20(21)22(23(26)28)16(13-24)14-25)32(29,30)27-11-5-6-17(27)15-31-18-7-3-2-4-8-18/h2-4,7-10,12,17H,5-6,11,15H2,1H3/t17-/m0/s1 AOMIEFGRQXLEGT-KRWDZBQOSA-N 50216420 2-[1-methyl-2-oxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1,2-dihydro-indol-3-yl-idene]-malononitrile::CHEMBL390932 Caspase-7 Homo sapiens 785 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216420&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16749069 104090778 CHEMBL390932 ZINC36093010 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391470 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C28H27FN2O6S/c29-14-16-36-23-10-8-20(9-11-23)18-30-26-13-12-24(17-25(26)27(32)28(30)33)38(34,35)31-15-4-5-21(31)19-37-22-6-2-1-3-7-22/h1-3,6-13,17,21H,4-5,14-16,18-19H2/t21-/m0/s1 JVKBLHAUEXSZHN-NRFANRHFSA-N 50192784 (S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymethyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione::(S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin::1-[4-(2-fluoroethoxy)-benzyl]-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::CHEMBL213759 Caspase-7 Homo sapiens 23.5 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192784&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11533935 104075585 CHEMBL213759 ZINC37866131 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391472 O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 InChI=1S/C28H23N5O4S/c29-15-21(16-30)27-25-14-24(10-11-26(25)32(28(27)34)18-20-6-2-1-3-7-20)38(35,36)33-13-5-8-22(33)19-37-23-9-4-12-31-17-23/h1-4,6-7,9-12,14,17,22H,5,8,13,18-19H2/t22-/m0/s1 ZETOPGLMQYFZNJ-QFIPXVFZSA-N 50216415 2-{1-benzyl-2-oxo-5-[2-(pyridine-3-yloxymethyl)-pyrrolidine-1-sulfonyl]-1,2-dihydro-indol-3-yl-idene}-malononitrile::CHEMBL226828 Caspase-7 Homo sapiens 32.8 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216415&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16749162 104090773 CHEMBL226828 ZINC36093014 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50391477 Brc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C29H23BrN4O4S/c30-22-10-8-20(9-11-22)18-33-27-13-12-25(15-26(27)28(29(33)35)21(16-31)17-32)39(36,37)34-14-4-5-23(34)19-38-24-6-2-1-3-7-24/h1-3,6-13,15,23H,4-5,14,18-19H2/t23-/m0/s1 XQVKFBHLQLXESM-QHCPKHFHSA-N 50216424 2-[1-(4-bromo-benzyl)-2-oxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1,2-dihydro-indol-3-yl-idene]-malononitrile::CHEMBL436989 Caspase-7 Homo sapiens 92.2 ChEMBL 10.1021/jm070506t 10.7270/Q2JW8DMM 17585855 Chu, W; Rothfuss, J; d'Avignon, A; Zeng, C; Zhou, D; Hotchkiss, RS; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216424&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 16749270 104090782 CHEMBL436989 ZINC36093013 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50412492 CCOC(=O)COc1cc(C(O)=O)c(O)c2ccccc12 InChI=1S/C15H14O6/c1-2-20-13(16)8-21-12-7-11(15(18)19)14(17)10-6-4-3-5-9(10)12/h3-7,17H,2,8H2,1H3,(H,18,19) JWAJPJVUIOBOOM-UHFFFAOYSA-N 50270346 4-(ethoxycarbonylmethoxy)-1-hydroxy-naphthalene-2-carboxylic acid::CHEMBL479009 Caspase-7 Homo sapiens 84900 ChEMBL 10.1016/j.bmc.2008.03.046 10.7270/Q25B0281 18387304 Sakai, J; Yoshimori, A; Nose, Y; Mizoroki, A; Okita, N; Takasawa, R; Tanuma, S Tokyo University of Science http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50270346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50270346&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 4246483 104115664 CHEMBL479009 ZINC00402550 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50401559 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(O)=O)C(=O)CF InChI=1S/C24H26FN3O7/c1-14(2)19(28-24(34)35-13-15-8-4-3-5-9-15)22(31)26-17-11-7-6-10-16(17)21(30)27-20(23(32)33)18(29)12-25/h3-11,14,19-20H,12-13H2,1-2H3,(H,26,31)(H,27,30)(H,28,34)(H,32,33)/t19-,20?/m0/s1 SIQQBFWEHZXLAO-XJDOXCRVSA-N 50223100 2-(2-((S)-2-(benzyloxycarbonyl)-3-methylbutanamido)benzamido)-4-fluoro-3-oxobutanoic acid::CHEMBL237310 Caspase-7 Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2007.09.030 10.7270/Q21Z4450 17889532 Wang, Y; Jia, S; Tseng, B; Drewe, J; Cai, SX EpiCept Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223100&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44434249 104095261 CHEMBL237310 ZINC28825333 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442121 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1 PKOUAUWPBMZQCH-FQEVSTJZSA-N 10323 (S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::1-benzyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL439753::IST-3::Isatin Sulfonamide 34::JMC522188 Compound 2::Pyrrolidine Isatin Analogue 2 Caspase-7 Homo sapiens 29.4 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10323&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9847835 46510950 CHEMBL439753 6515 ZINC03940612 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442122 Ic1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C26H23IN2O5S/c27-19-10-8-18(9-11-19)16-28-24-13-12-22(15-23(24)25(30)26(28)31)35(32,33)29-14-4-5-20(29)17-34-21-6-2-1-3-7-21/h1-3,6-13,15,20H,4-5,14,16-17H2/t20-/m0/s1 OOMWRPAWHLYIEI-FQEVSTJZSA-N 50200305 (S)-1-(4-iodobenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)isatin::(S)-1-(4-iodobenzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL384023 Caspase-7 Homo sapiens 25.3 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200305&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11548909 104080675 CHEMBL384023 ZINC37866136 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442123 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C26H23FN2O5S/c27-19-10-8-18(9-11-19)16-28-24-13-12-22(15-23(24)25(30)26(28)31)35(32,33)29-14-4-5-20(29)17-34-21-6-2-1-3-7-21/h1-3,6-13,15,20H,4-5,14,16-17H2/t20-/m0/s1 BLQICVVKCWCIMT-FQEVSTJZSA-N 10331 (S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::1-[(4-fluorophenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL372607::Pyrrolidine Isatin Analogue 11c Caspase-7 Homo sapiens 19.8 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10331&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11576852 46510955 CHEMBL372607 ZINC13676458 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442124 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCCC2)cc1 InChI=1S/C19H17FN2O4S/c20-14-5-3-13(4-6-14)12-22-17-8-7-15(11-16(17)18(23)19(22)24)27(25,26)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2 XMBJTDKKHXHJMK-UHFFFAOYSA-N 50273926 1-(4-Fluorobenzyl)-5-(pyrrolidine-1-sulfonyl)isatin::CHEMBL461248 Caspase-7 Homo sapiens 78.6 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273926&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25179143 104117889 CHEMBL461248 ZINC40864519 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442125 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2)cc1 InChI=1S/C26H22F2N2O5S/c27-18-5-3-17(4-6-18)15-29-24-12-11-22(14-23(24)25(31)26(29)32)36(33,34)30-13-1-2-20(30)16-35-21-9-7-19(28)8-10-21/h3-12,14,20H,1-2,13,15-16H2/t20-/m0/s1 XTJXPXISUPCRAQ-FQEVSTJZSA-N 50273927 (S)-1-(4-Fluorobenzyl)-5-(2-(4-fluorophenoxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL516490 Caspase-7 Homo sapiens 8 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273927&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25179324 104117890 CHEMBL516490 ZINC40864521 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442126 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccc(F)c2)cc1 InChI=1S/C26H22F2N2O5S/c27-18-8-6-17(7-9-18)15-29-24-11-10-22(14-23(24)25(31)26(29)32)36(33,34)30-12-2-4-20(30)16-35-21-5-1-3-19(28)13-21/h1,3,5-11,13-14,20H,2,4,12,15-16H2/t20-/m0/s1 ZJJKLKRBUCLNMX-FQEVSTJZSA-N 50273928 (S)-1-(4-Fluorobenzyl)-5-(2-(3-fluorophenoxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL461249 Caspase-7 Homo sapiens 13.5 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273928&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25178948 104117891 CHEMBL461249 ZINC40394170 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442127 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)cc1 InChI=1S/C26H21F3N2O5S/c27-17-5-3-16(4-6-17)14-30-23-9-8-20(13-21(23)25(32)26(30)33)37(34,35)31-11-1-2-19(31)15-36-24-10-7-18(28)12-22(24)29/h3-10,12-13,19H,1-2,11,14-15H2/t19-/m0/s1 WILCZVFYGCZRTK-IBGZPJMESA-N 50273929 (S)-1-(4-Fluorobenzyl)-5-(2-(2,4-difluorophenoxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL516941 Caspase-7 Homo sapiens 13 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273929&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25179513 104117892 CHEMBL516941 ZINC42877136 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442128 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cc(F)cc(F)c2)cc1 InChI=1S/C26H21F3N2O5S/c27-17-5-3-16(4-6-17)14-30-24-8-7-22(13-23(24)25(32)26(30)33)37(34,35)31-9-1-2-20(31)15-36-21-11-18(28)10-19(29)12-21/h3-8,10-13,20H,1-2,9,14-15H2/t20-/m0/s1 RQGSUKJUZMHSJH-FQEVSTJZSA-N 50273989 (S)-1-(4-Fluorobenzyl)-5-(2-(3,5-difluorophenoxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL456592 Caspase-7 Homo sapiens 16.8 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273989&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25178949 104117932 CHEMBL456592 ZINC44352448 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442129 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC2CCOCC2)cc1 InChI=1S/C25H27FN2O6S/c26-18-5-3-17(4-6-18)15-27-23-8-7-21(14-22(23)24(29)25(27)30)35(31,32)28-11-1-2-19(28)16-34-20-9-12-33-13-10-20/h3-8,14,19-20H,1-2,9-13,15-16H2/t19-/m0/s1 DXLDRPULBTVEJQ-IBGZPJMESA-N 50273990 (S)-1-(4-Fluorobenzyl)-5-(2-(tetrahydro-2H-pyran-4-yloxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL456593 Caspase-7 Homo sapiens 14.4 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273990&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25178950 104117933 CHEMBL456593 ZINC40848675 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442130 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccncn2)cc1 InChI=1S/C24H21FN4O5S/c25-17-5-3-16(4-6-17)13-28-21-8-7-19(12-20(21)23(30)24(28)31)35(32,33)29-11-1-2-18(29)14-34-22-9-10-26-15-27-22/h3-10,12,15,18H,1-2,11,13-14H2/t18-/m0/s1 NQUXMPBEDQBYJN-SFHVURJKSA-N 50273991 (S)-1-(4-Fluorobenzyl)-5-(2-(pyrimidin-4-yloxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL515506 Caspase-7 Homo sapiens 2.3 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273991&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25179514 104117934 CHEMBL515506 ZINC40848677 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442131 Fc1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N(CC#C)C(=O)C(=O)c3c2)c(F)c1 InChI=1S/C22H18F2N2O5S/c1-2-9-25-19-7-6-16(12-17(19)21(27)22(25)28)32(29,30)26-10-3-4-15(26)13-31-20-8-5-14(23)11-18(20)24/h1,5-8,11-12,15H,3-4,9-10,13H2/t15-/m0/s1 SJZKQKNCZPWFBN-HNNXBMFYSA-N 50273992 (S)-1-(2-Propynyl)-5-(2-(2,4-difluorophenoxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL515661 Caspase-7 Homo sapiens 60.4 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273992&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25179140 104117935 CHEMBL515661 ZINC40379780 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442132 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)nn1 InChI=1S/C24H24FN5O5S/c25-10-12-28-14-17(26-27-28)15-29-22-9-8-20(13-21(22)23(31)24(29)32)36(33,34)30-11-4-5-18(30)16-35-19-6-2-1-3-7-19/h1-3,6-9,13-14,18H,4-5,10-12,15-16H2/t18-/m0/s1 HYYDYCCTMBTVAC-SFHVURJKSA-N 50273337 (S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)methyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)isatin::CHEMBL456798 Caspase-7 Homo sapiens 28.2 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273337&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25179144 104117486 CHEMBL456798 ZINC40846581 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442133 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)nn1 InChI=1S/C24H22F3N5O5S/c25-7-9-30-12-16(28-29-30)13-31-21-5-4-18(11-19(21)23(33)24(31)34)38(35,36)32-8-1-2-17(32)14-37-22-6-3-15(26)10-20(22)27/h3-6,10-12,17H,1-2,7-9,13-14H2/t17-/m0/s1 XBILASWQSBQTIV-KRWDZBQOSA-N 50273338 (S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)methyl)-5-(2(2,4-difluorophenoxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL456799 Caspase-7 Homo sapiens 2.2 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273338&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25179141 104117487 CHEMBL456799 ZINC44352670 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50442134 FCCn1cc(COC[C@@H]2CCCN2S(=O)(=O)c2ccc3N(Cc4ccc(F)cc4)C(=O)C(=O)c3c2)nn1 InChI=1S/C25H25F2N5O5S/c26-9-11-30-14-19(28-29-30)15-37-16-20-2-1-10-32(20)38(35,36)21-7-8-23-22(12-21)24(33)25(34)31(23)13-17-3-5-18(27)6-4-17/h3-8,12,14,20H,1-2,9-11,13,15-16H2/t20-/m0/s1 GPUUTKKXWRMCFC-FQEVSTJZSA-N 50273339 (S)-1-(4-Fluorobenzyl)-5-(2-((1-(2-fluoroethyl)-1H-[1,2,3]-triazol-4-yl)methoxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL518382 Caspase-7 Homo sapiens 18.3 ChEMBL 10.1021/jm801107u 10.7270/Q2ZK5GHK 19049429 Smith, G; Glaser, M; Perumal, M; Nguyen, QD; Shan, B; Arstad, E; Aboagye, EO Imperial College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273339&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25179145 104117488 CHEMBL518382 ZINC42876804 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454600 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1 SLQMNVJNDYLJSF-VIFPVBQESA-N 10305 (S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isatin::5-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60190::Isatin Sulfonamide 16 Caspase-7 Homo sapiens 170 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10305&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9840223 46510932 CHEMBL60190 ZINC03871900 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454602 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1 InChI=1S/C15H18N2O5S/c1-16-13-6-5-11(8-12(13)14(18)15(16)19)23(20,21)17-7-3-4-10(17)9-22-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1 SMINLRKVPPXJGK-JTQLQIEISA-N 50200302 (S)-5-(2-(methoxymethyl)pyrrolidin-1-ylsulfonyl)-1-methylindoline-2,3-dione::(S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-methylisatin::CHEMBL216819 Caspase-7 Homo sapiens 304 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200302&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 11515586 104080672 CHEMBL216819 ZINC37866140 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454604 CCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C16H20N2O5S/c1-3-17-14-7-6-12(9-13(14)15(19)16(17)20)24(21,22)18-8-4-5-11(18)10-23-2/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m0/s1 NVUAKKWTWHVSEV-NSHDSACASA-N 50257247 (S)-1-Ethyl-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL521839 Caspase-7 Homo sapiens 319 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257247&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572673 104108424 CHEMBL521839 ZINC40955142 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454606 CCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C17H22N2O5S/c1-3-8-18-15-7-6-13(10-14(15)16(20)17(18)21)25(22,23)19-9-4-5-12(19)11-24-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3/t12-/m0/s1 FXRYYTKWISSZGE-LBPRGKRZSA-N 50257248 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-propylisatin::CHEMBL493926 Caspase-7 Homo sapiens 58 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257248&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44157030 104108425 CHEMBL493926 ZINC40429813 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454608 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C18H24N2O5S/c1-3-4-9-19-16-8-7-14(11-15(16)17(21)18(19)22)26(23,24)20-10-5-6-13(20)12-25-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3/t13-/m0/s1 BRCVHXRLGOWCTD-ZDUSSCGKSA-N 50257249 (S)-1-Butyl-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL521840 Caspase-7 Homo sapiens 8.1 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257249&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44157031 104108426 CHEMBL521840 ZINC40955528 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454610 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCl)C(=O)C(=O)c2c1 InChI=1S/C17H21ClN2O5S/c1-25-11-12-4-2-9-20(12)26(23,24)13-5-6-15-14(10-13)16(21)17(22)19(15)8-3-7-18/h5-6,10,12H,2-4,7-9,11H2,1H3/t12-/m0/s1 WTXXKEPFHMWDDX-LBPRGKRZSA-N 50257250 (S)-1-(3-Chloropropyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL493927 Caspase-7 Homo sapiens 79 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257250&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572674 104108427 CHEMBL493927 ZINC40955531 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454612 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCO)C(=O)C(=O)c2c1 InChI=1S/C17H22N2O6S/c1-25-11-12-4-2-8-19(12)26(23,24)13-5-6-15-14(10-13)16(21)17(22)18(15)7-3-9-20/h5-6,10,12,20H,2-4,7-9,11H2,1H3/t12-/m0/s1 BVPRPKGQOIQLMI-LBPRGKRZSA-N 50257295 (S)-1-(3-Hydroxypropyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL522324 Caspase-7 Homo sapiens 52 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257295&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572710 104108448 CHEMBL522324 ZINC40950005 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454614 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOS(C)(=O)=O)C(=O)C(=O)c2c1 InChI=1S/C18H24N2O8S2/c1-27-12-13-5-3-9-20(13)30(25,26)14-6-7-16-15(11-14)17(21)18(22)19(16)8-4-10-28-29(2,23)24/h6-7,11,13H,3-5,8-10,12H2,1-2H3/t13-/m0/s1 IVNMNOZULIYBTB-ZDUSSCGKSA-N 50257296 (S)-3-{5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-2,3-dioxoindolin-1-yl}propyl methanesulfonate::CHEMBL492718 Caspase-7 Homo sapiens 217 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257296&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572711 104108449 CHEMBL492718 ZINC40423299 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454616 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(O)=O)C(=O)C(=O)c2c1 InChI=1S/C17H20N2O7S/c1-26-10-11-3-2-7-19(11)27(24,25)12-4-5-14-13(9-12)16(22)17(23)18(14)8-6-15(20)21/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,20,21)/t11-/m0/s1 VCJHWYAJYQWNJL-NSHDSACASA-N 50257297 (S)-3-{5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-2,3-dioxoindolin-1-yl}propanoic acid::CHEMBL492322 Caspase-7 Homo sapiens 129 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257297&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572712 104108450 CHEMBL492322 ZINC45505694 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454618 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCO)C(=O)C(=O)c2c1 InChI=1S/C18H24N2O6S/c1-26-12-13-5-4-9-20(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)19(16)8-2-3-10-21/h6-7,11,13,21H,2-5,8-10,12H2,1H3/t13-/m0/s1 SIHWSNWMVORLAP-ZDUSSCGKSA-N 50257298 (S)-1-(4-Hydroxybutyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL522148 Caspase-7 Homo sapiens 11 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257298&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572713 104108451 CHEMBL522148 ZINC42892008 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454620 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCOS(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)c2c1 InChI=1S/C25H30N2O8S2/c1-18-7-9-20(10-8-18)37(32,33)35-15-4-3-13-26-23-12-11-21(16-22(23)24(28)25(26)29)36(30,31)27-14-5-6-19(27)17-34-2/h7-12,16,19H,3-6,13-15,17H2,1-2H3/t19-/m0/s1 JFFCVWIPXCEUGT-IBGZPJMESA-N 50257299 (S)-4-{5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-2,3-dioxoindolin-1-yl}butyl 4-methyl-benzenesulfonate::CHEMBL492518 Caspase-7 Homo sapiens 29 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257299&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572714 104108452 CHEMBL492518 ZINC49878127 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454622 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCF)C(=O)C(=O)c2c1 InChI=1S/C16H19FN2O5S/c1-24-10-11-3-2-7-19(11)25(22,23)12-4-5-14-13(9-12)15(20)16(21)18(14)8-6-17/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m0/s1 JWCIFGNNJSREBG-NSHDSACASA-N 50257353 (S)-1-(2-Fluoroethyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL523710 Caspase-7 Homo sapiens 2940 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257353&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572774 104108483 CHEMBL523710 ZINC40431144 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454624 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCF)C(=O)C(=O)c2c1 InChI=1S/C17H21FN2O5S/c1-25-11-12-4-2-9-20(12)26(23,24)13-5-6-15-14(10-13)16(21)17(22)19(15)8-3-7-18/h5-6,10,12H,2-4,7-9,11H2,1H3/t12-/m0/s1 BQDIORHRLCEWGW-LBPRGKRZSA-N 50257354 (S)-1-(3-Fluoropropyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL494737 Caspase-7 Homo sapiens 1440 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257354&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572775 104108484 CHEMBL494737 ZINC40953303 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454626 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 InChI=1S/C18H23FN2O5S/c1-26-12-13-5-4-10-21(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)20(16)9-3-2-8-19/h6-7,11,13H,2-5,8-10,12H2,1H3/t13-/m0/s1 PIQHWGFQAFGKBN-ZDUSSCGKSA-N 50257355 (S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL494140 Caspase-7 Homo sapiens 28 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257355&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572776 104108485 CHEMBL494140 ZINC40956517 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454628 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(C)F)C(=O)C(=O)c2c1 InChI=1S/C18H23FN2O5S/c1-12(19)7-9-20-16-6-5-14(10-15(16)17(22)18(20)23)27(24,25)21-8-3-4-13(21)11-26-2/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3/t12?,13-/m0/s1 NORINPJAWOULPP-ABLWVSNPSA-N 50257356 (S)-1-(3-Fluorobutyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL494141 Caspase-7 Homo sapiens 6.8 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257356&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44157032 104108486 CHEMBL494141 ZINC40429682 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454630 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC(F)=C)C(=O)C(=O)c2c1 InChI=1S/C17H19FN2O5S/c1-11(18)9-19-15-6-5-13(8-14(15)16(21)17(19)22)26(23,24)20-7-3-4-12(20)10-25-2/h5-6,8,12H,1,3-4,7,9-10H2,2H3/t12-/m0/s1 HCWVNDBXTZOJJT-LBPRGKRZSA-N 50257357 (S)-1-(2-Fluoroallyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL524194 Caspase-7 Homo sapiens 266 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257357&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572777 104108487 CHEMBL524194 ZINC40956520 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454632 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(F)=C(F)F)C(=O)C(=O)c2c1 InChI=1S/C18H19F3N2O5S/c1-28-10-11-3-2-7-23(11)29(26,27)12-4-5-15-13(9-12)16(24)18(25)22(15)8-6-14(19)17(20)21/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m0/s1 KECFNHULKQPLHJ-NSHDSACASA-N 50257419 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-(3,4,4-trifluorobut-3-enyl)isatin::CHEMBL493123 Caspase-7 Homo sapiens 178 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257419&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572967 104108520 CHEMBL493123 ZINC40430419 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454634 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(F)cc3)C(=O)C(=O)c2c1 InChI=1S/C21H21FN2O5S/c1-29-13-16-3-2-10-24(16)30(27,28)17-8-9-19-18(11-17)20(25)21(26)23(19)12-14-4-6-15(22)7-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3/t16-/m0/s1 NVEIBIBNNZZXLH-INIZCTEOSA-N 50257420 (S)-4-Fluorobenzyl-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL493124 Caspase-7 Homo sapiens 44 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257420&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572968 104108521 CHEMBL493124 ZINC40429847 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454636 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1 InChI=1S/C22H21F3N2O5S/c1-32-13-16-3-2-10-27(16)33(30,31)17-8-9-19-18(11-17)20(28)21(29)26(19)12-14-4-6-15(7-5-14)22(23,24)25/h4-9,11,16H,2-3,10,12-13H2,1H3/t16-/m0/s1 YGIPKOMPEBEYJK-INIZCTEOSA-N 50257421 (S)-4-Trifluoromethylbenzyl-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL521822 Caspase-7 Homo sapiens 11 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257421&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572969 104108522 CHEMBL521822 ZINC40957351 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454638 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)C(=O)c2c1 InChI=1S/C23H20F6N2O5S/c1-36-12-16-3-2-6-31(16)37(34,35)17-4-5-19-18(10-17)20(32)21(33)30(19)11-13-7-14(22(24,25)26)9-15(8-13)23(27,28)29/h4-5,7-10,16H,2-3,6,11-12H2,1H3/t16-/m0/s1 QIZVTMONNDOOLR-INIZCTEOSA-N 50257422 (S)-3,5-Bis-trifluoromethylbenzyl-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL493127 Caspase-7 Homo sapiens 135 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257422&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572970 104108523 CHEMBL493127 ZINC49878704 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454640 CCCN1CC(F)(F)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC InChI=1S/C17H24F2N2O3S/c1-3-8-20-12-17(18,19)15-10-14(6-7-16(15)20)25(22,23)21-9-4-5-13(21)11-24-2/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3/t13-/m0/s1 KCHNTZFCEGVIAE-ZDUSSCGKSA-N 50257479 (S)-3,3-Difluoro-1-propyl-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]indolin-2-one::CHEMBL522191 Caspase-7 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257479&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44573088 104108544 CHEMBL522191 ZINC40953922 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454642 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCF)CC(F)(F)c2c1 InChI=1S/C17H23F3N2O3S/c1-25-11-13-4-2-9-22(13)26(23,24)14-5-6-16-15(10-14)17(19,20)12-21(16)8-3-7-18/h5-6,10,13H,2-4,7-9,11-12H2,1H3/t13-/m0/s1 KLLCNDRQWIVTAV-ZDUSSCGKSA-N 50257480 (S)-3,3-Difluoro-1-(3-fluoropropyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]indolin-2-one::CHEMBL494539 Caspase-7 Homo sapiens 5640 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257480&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44573089 104108545 CHEMBL494539 ZINC40954193 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454644 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCO)C(=O)C(=O)c2c1 InChI=1S/C20H28N2O7S/c1-28-14-15-5-2-9-22(15)30(26,27)16-6-7-18-17(13-16)19(24)20(25)21(18)8-3-11-29-12-4-10-23/h6-7,13,15,23H,2-5,8-12,14H2,1H3/t15-/m0/s1 IWHDVMRBFYDDAU-HNNXBMFYSA-N 50257481 (S)-1-[3-(3-Hydroxypropoxy)propyl]-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL492735 Caspase-7 Homo sapiens 113000 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257481&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44573090 104108546 CHEMBL492735 ZINC40951710 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454646 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCOCCF)C(=O)C(=O)c2c1 InChI=1S/C22H31FN2O7S/c1-30-16-17-5-2-10-25(17)33(28,29)18-6-7-20-19(15-18)21(26)22(27)24(20)9-3-11-31-12-4-13-32-14-8-23/h6-7,15,17H,2-5,8-14,16H2,1H3/t17-/m0/s1 KZWLTMGYYYAWSP-KRWDZBQOSA-N 50257482 (S)-1-{3-[3-(2-Fluoroethoxy)propoxy]propyl}-5-[1-(2-methoxymethylpyrrolidinyl)-sulfonyl]isatin::CHEMBL492936 Caspase-7 Homo sapiens 19400 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257482&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44573091 104108547 CHEMBL492936 ZINC40430928 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454648 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCOS(C)(=O)=O)C(=O)C(=O)c2c1 InChI=1S/C21H30N2O9S2/c1-30-15-16-6-3-10-23(16)34(28,29)17-7-8-19-18(14-17)20(24)21(25)22(19)9-4-11-31-12-5-13-32-33(2,26)27/h7-8,14,16H,3-6,9-13,15H2,1-2H3/t16-/m0/s1 BOLDFSOGGVEERQ-INIZCTEOSA-N 50256797 (S)-3-{3-[5-(1-(2-Methoxymethylpyrrolidinyl)sulfonyl)-2,3-dioxoindolin-1-yl]propoxy}-propyl methanesulfonate::CHEMBL475020 Caspase-7 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256797&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572193 104108145 CHEMBL475020 ZINC40403904 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454650 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCF)C(=O)C(=O)c2c1 InChI=1S/C20H27FN2O6S/c1-28-14-15-5-2-10-23(15)30(26,27)16-6-7-18-17(13-16)19(24)20(25)22(18)9-4-12-29-11-3-8-21/h6-7,13,15H,2-5,8-12,14H2,1H3/t15-/m0/s1 WBUCOAAWDUKEOJ-HNNXBMFYSA-N 50256798 (S)-1-[3-(3-Fluoropropoxy)propyl]-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL475858 Caspase-7 Homo sapiens >100000 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256798&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572194 104108146 CHEMBL475858 ZINC40917159 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454652 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC(O)CCl)C(=O)C(=O)c2c1 InChI=1S/C17H21ClN2O6S/c1-26-10-11-3-2-6-20(11)27(24,25)13-4-5-15-14(7-13)16(22)17(23)19(15)9-12(21)8-18/h4-5,7,11-12,21H,2-3,6,8-10H2,1H3/t11-,12?/m0/s1 WWOJLWFIFRTCON-PXYINDEMSA-N 50256799 (S)-1-(3-Chloro-2-hydroxypropyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL515299 Caspase-7 Homo sapiens 123 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256799&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572195 104108147 CHEMBL515299 ZINC40407152 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454654 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(F)(F)F)C(=O)C(=O)c2c1 InChI=1S/C17H19F3N2O5S/c1-27-10-11-3-2-7-22(11)28(25,26)12-4-5-14-13(9-12)15(23)16(24)21(14)8-6-17(18,19)20/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m0/s1 XGGOGHVJRTYSOB-NSHDSACASA-N 50256800 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-(3,3,3-trifluoropropyl)isatin::CHEMBL475859 Caspase-7 Homo sapiens 40 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256800&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572196 104108148 CHEMBL475859 ZINC40917161 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454656 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCC(F)(F)F)C(=O)C(=O)c2c1 InChI=1S/C18H21F3N2O5S/c1-28-11-12-4-2-9-23(12)29(26,27)13-5-6-15-14(10-13)16(24)17(25)22(15)8-3-7-18(19,20)21/h5-6,10,12H,2-4,7-9,11H2,1H3/t12-/m0/s1 OBGDVZSRUCWITM-LBPRGKRZSA-N 50256814 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-(4,4,4-trifluorobutyl)isatin::CHEMBL475040 Caspase-7 Homo sapiens 100 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256814&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572210 104108157 CHEMBL475040 ZINC40403765 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50454658 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCCC(F)F)C(=O)C(=O)c2c1 InChI=1S/C25H36F2N2O5S/c1-34-18-19-11-10-16-29(19)35(32,33)20-13-14-22-21(17-20)24(30)25(31)28(22)15-9-7-5-3-2-4-6-8-12-23(26)27/h13-14,17,19,23H,2-12,15-16,18H2,1H3/t19-/m0/s1 YNDYWRFJZGWCJS-IBGZPJMESA-N 50256867 (S)-1-(11,11-Difluoroundecyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL483408 Caspase-7 Homo sapiens 111 ChEMBL 10.1016/j.bmc.2009.02.048 10.7270/Q25Q4W0P 19299147 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schafers, M; Haufe, G Westfälische Wilhelms-Universität http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256867&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44572270 104108184 CHEMBL483408 ZINC40938015 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460249 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC=C)C(=O)C(=O)c2c1 InChI=1S/C17H20N2O5S/c1-3-8-18-15-7-6-13(10-14(15)16(20)17(18)21)25(22,23)19-9-4-5-12(19)11-24-2/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3/t12-/m0/s1 NJXLWRJQLADOSG-LBPRGKRZSA-N 50258667 (S)-1-Allyl-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL512101 Caspase-7 Homo sapiens 24 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258667&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158238 104109291 CHEMBL512101 ZINC40874506 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460253 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC=C)C(=O)C(=O)c2c1 InChI=1S/C18H22N2O5S/c1-3-4-9-19-16-8-7-14(11-15(16)17(21)18(19)22)26(23,24)20-10-5-6-13(20)12-25-2/h3,7-8,11,13H,1,4-6,9-10,12H2,2H3/t13-/m0/s1 GIUGBCHQBCYCTJ-ZDUSSCGKSA-N 50258668 (S)-1-(But-3-enyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL468088 Caspase-7 Homo sapiens 50 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258668&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158240 104109292 CHEMBL468088 ZINC40874508 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460257 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCC=C)C(=O)C(=O)c2c1 InChI=1S/C25H36N2O5S/c1-3-4-5-6-7-8-9-10-11-16-26-23-15-14-21(18-22(23)24(28)25(26)29)33(30,31)27-17-12-13-20(27)19-32-2/h3,14-15,18,20H,1,4-13,16-17,19H2,2H3/t20-/m0/s1 VMHZRSKJCWWRNQ-FQEVSTJZSA-N 50258669 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-(undec-10-enyl)isatin::CHEMBL513513 Caspase-7 Homo sapiens 111 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258669&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158242 104109293 CHEMBL513513 ZINC40394679 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460261 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(C=C)cc3)C(=O)C(=O)c2c1 InChI=1S/C23H24N2O5S/c1-3-16-6-8-17(9-7-16)14-24-21-11-10-19(13-20(21)22(26)23(24)27)31(28,29)25-12-4-5-18(25)15-30-2/h3,6-11,13,18H,1,4-5,12,14-15H2,2H3/t18-/m0/s1 IXNAXPALFGYLBG-SFHVURJKSA-N 50258694 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-(4-vinylbenzyl)isatin::CHEMBL513663 Caspase-7 Homo sapiens 7.2 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258694&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158325 104109313 CHEMBL513663 ZINC40874969 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460265 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C(F)CBr)C(=O)C(=O)c2c1 InChI=1S/C23H24BrFN2O5S/c1-32-14-17-3-2-10-27(17)33(30,31)18-8-9-21-19(11-18)22(28)23(29)26(21)13-15-4-6-16(7-5-15)20(25)12-24/h4-9,11,17,20H,2-3,10,12-14H2,1H3/t17-,20?/m0/s1 FGBBQLKNFNUJTG-DIMJTDRSSA-N 50258695 (S)-1-[4-(2-Bromo-1-fluoroethyl)benzyl]-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL467251 Caspase-7 Homo sapiens 16 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258695&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158086 104109314 CHEMBL467251 ZINC44416794 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460269 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC=C)cc3)C(=O)C(=O)c2c1 InChI=1S/C24H26N2O6S/c1-3-13-32-19-8-6-17(7-9-19)15-25-22-11-10-20(14-21(22)23(27)24(25)28)33(29,30)26-12-4-5-18(26)16-31-2/h3,6-11,14,18H,1,4-5,12-13,15-16H2,2H3/t18-/m0/s1 OJYJCHGYJSCGSY-SFHVURJKSA-N 50258696 (S)-1-[4-(Allyloxy)benzyl]-5-[1-(2-methoxymethylpyrrolidinyl)-sulfonyl]isatin::CHEMBL467252 Caspase-7 Homo sapiens 0.60 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258696&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158326 104109315 CHEMBL467252 ZINC40874971 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460273 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H]3CO3)C(=O)C(=O)c2c1 InChI=1S/C17H20N2O6S/c1-24-9-11-3-2-6-19(11)26(22,23)13-4-5-15-14(7-13)16(20)17(21)18(15)8-12-10-25-12/h4-5,7,11-12H,2-3,6,8-10H2,1H3/t11-,12-/m0/s1 XRLQEVLRBDPXIT-RYUDHWBXSA-N 50258697 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-[(S)-oxiran-2-ylmethyl]isatin::CHEMBL513297 Caspase-7 Homo sapiens 9 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258697&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158328 104109316 CHEMBL513297 ZINC40876977 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460277 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H](O)CF)C(=O)C(=O)c2c1 InChI=1S/C17H21FN2O6S/c1-26-10-11-3-2-6-20(11)27(24,25)13-4-5-15-14(7-13)16(22)17(23)19(15)9-12(21)8-18/h4-5,7,11-12,21H,2-3,6,8-10H2,1H3/t11-,12+/m0/s1 AYNCKCVIBWBSLQ-NWDGAFQWSA-N 50258335 (S)-1-[(S)-3-Fluoro-2-hydroxypropyl]-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL524017 Caspase-7 Homo sapiens 349 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258335&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158089 104109056 CHEMBL524017 ZINC40429356 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460281 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC3CO3)C(=O)C(=O)c2c1 InChI=1S/C18H22N2O6S/c1-25-10-12-3-2-7-20(12)27(23,24)14-4-5-16-15(9-14)17(21)18(22)19(16)8-6-13-11-26-13/h4-5,9,12-13H,2-3,6-8,10-11H2,1H3/t12-,13?/m0/s1 QXPRIMHKXWCGCU-UEWDXFNNSA-N 50258336 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-[2-(oxiran-2-yl)ethyl]isatin::CHEMBL493374 Caspase-7 Homo sapiens 68 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258336&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44157085 104109057 CHEMBL493374 ZINC40954804 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460285 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(O)CF)C(=O)C(=O)c2c1 InChI=1S/C18H23FN2O6S/c1-27-11-12-3-2-7-21(12)28(25,26)14-4-5-16-15(9-14)17(23)18(24)20(16)8-6-13(22)10-19/h4-5,9,12-13,22H,2-3,6-8,10-11H2,1H3/t12-,13?/m0/s1 APKUVGMUIXJJAR-UEWDXFNNSA-N 50258337 (S)-1-(4-Fluoro-3-hydroxybutyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL493375 Caspase-7 Homo sapiens 99 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258337&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44157086 104109058 CHEMBL493375 ZINC40954808 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460289 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCC3CO3)C(=O)C(=O)c2c1 InChI=1S/C25H36N2O6S/c1-32-17-19-10-9-15-27(19)34(30,31)21-12-13-23-22(16-21)24(28)25(29)26(23)14-8-6-4-2-3-5-7-11-20-18-33-20/h12-13,16,19-20H,2-11,14-15,17-18H2,1H3/t19-,20?/m0/s1 HERMWEDKDQDOTD-XJDOXCRVSA-N 50258378 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-[9-(oxiran-2-yl)nonyl]isatin::CHEMBL521984 Caspase-7 Homo sapiens 61 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258378&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44157087 104109079 CHEMBL521984 ZINC40423755 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460293 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C3CO3)C(=O)C(=O)c2c1 InChI=1S/C23H24N2O6S/c1-30-13-17-3-2-10-25(17)32(28,29)18-8-9-20-19(11-18)22(26)23(27)24(20)12-15-4-6-16(7-5-15)21-14-31-21/h4-9,11,17,21H,2-3,10,12-14H2,1H3/t17-,21?/m0/s1 AEVFCJHPCHDXDJ-PBVYKCSPSA-N 50258379 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-[4-(oxiran-2-yl)benzyl]isatin::CHEMBL523666 Caspase-7 Homo sapiens 1.9 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258379&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44157089 104109080 CHEMBL523666 ZINC42890142 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460297 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C(F)CO)C(=O)C(=O)c2c1 InChI=1S/C23H25FN2O6S/c1-32-14-17-3-2-10-26(17)33(30,31)18-8-9-21-19(11-18)22(28)23(29)25(21)12-15-4-6-16(7-5-15)20(24)13-27/h4-9,11,17,20,27H,2-3,10,12-14H2,1H3/t17-,20?/m0/s1 DPNDRYUDIJORHR-DIMJTDRSSA-N 50258380 (S)-1-[4-(1-Fluoro-2-hydroxyethyl)benzyl]-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL492385 Caspase-7 Homo sapiens 7.6 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258380&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158154 104109081 CHEMBL492385 ZINC45505919 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460301 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC4CO4)cc3)C(=O)C(=O)c2c1 InChI=1S/C24H26N2O7S/c1-31-13-17-3-2-10-26(17)34(29,30)20-8-9-22-21(11-20)23(27)24(28)25(22)12-16-4-6-18(7-5-16)32-14-19-15-33-19/h4-9,11,17,19H,2-3,10,12-15H2,1H3/t17-,19?/m0/s1 ULPLTJMGFAFYSR-KKFHFHRHSA-N 50258381 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-[4-(oxiran-2-ylmethoxy)benzyl]isatin::CHEMBL494220 Caspase-7 Homo sapiens 2.4 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258381&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44157090 104109082 CHEMBL494220 ZINC40953868 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460305 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC(O)CF)cc3)C(=O)C(=O)c2c1 InChI=1S/C24H27FN2O7S/c1-33-14-17-3-2-10-27(17)35(31,32)20-8-9-22-21(11-20)23(29)24(30)26(22)13-16-4-6-19(7-5-16)34-15-18(28)12-25/h4-9,11,17-18,28H,2-3,10,12-15H2,1H3/t17-,18?/m0/s1 DPMMEOUVESBMSC-ZENAZSQFSA-N 50258698 (S)-1-[4-(3-Fluoro-2-hydroxypropoxy)benzyl]-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-isatin::CHEMBL466422 Caspase-7 Homo sapiens 5 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258698&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158155 104109317 CHEMBL466422 ZINC40876123 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460309 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H](O)CO)C(=O)C(=O)c2c1 InChI=1S/C17H22N2O7S/c1-26-10-11-3-2-6-19(11)27(24,25)13-4-5-15-14(7-13)16(22)17(23)18(15)8-12(21)9-20/h4-5,7,11-12,20-21H,2-3,6,8-10H2,1H3/t11-,12-/m0/s1 XXUBHIOESHILCG-RYUDHWBXSA-N 50258699 (S)-1-[(S)-2,3-Dihydroxypropyl]-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL511723 Caspase-7 Homo sapiens 43 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258699&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158157 104109318 CHEMBL511723 ZINC40395133 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460313 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(O)CO)C(=O)C(=O)c2c1 InChI=1S/C18H24N2O7S/c1-27-11-12-3-2-7-20(12)28(25,26)14-4-5-16-15(9-14)17(23)18(24)19(16)8-6-13(22)10-21/h4-5,9,12-13,21-22H,2-3,6-8,10-11H2,1H3/t12-,13?/m0/s1 RBQBJJBLAZNQJZ-UEWDXFNNSA-N 50258700 (S)-1-(3,4-Dihydroxybutyl)-5-[1-(2-methoxymethylpyrrolidinyl)-sulfonyl]isatin::CHEMBL466423 Caspase-7 Homo sapiens 61 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258700&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158237 104109319 CHEMBL466423 ZINC40876131 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460317 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1 SLQMNVJNDYLJSF-VIFPVBQESA-N 10305 (S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isatin::5-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60190::Isatin Sulfonamide 16 Caspase-7 Homo sapiens 1290 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10305&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9840223 46510932 CHEMBL60190 ZINC03871900 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460321 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C19H18N2O5S/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)/t13-/m0/s1 QKVWMYQCBWNCQH-ZDUSSCGKSA-N 10318 (S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL62993::Isatin Sulfonamide 29::Pyrrolidine Isatin Analogue 10 Caspase-7 Homo sapiens 294 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10318&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9821545 46510945 CHEMBL62993 ZINC13676453 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460325 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1 PFAYCUAUBOGVDX-AWEZNQCLSA-N 10320 (S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL293034::IST-2::Isatin Sulfonamide 31::Pyrrolidine Isatin Analogue 11a Caspase-7 Homo sapiens 304 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10320&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search MSI 1GFW 5288850 46510947 CHEMBL293034 DB08213 ZINC03870526 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50460327 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC(F)(F)CBr)C(=O)C(=O)c2c1 InChI=1S/C17H19BrF2N2O5S/c1-27-8-11-3-2-6-22(11)28(25,26)12-4-5-14-13(7-12)15(23)16(24)21(14)10-17(19,20)9-18/h4-5,7,11H,2-3,6,8-10H2,1H3/t11-/m0/s1 OBRUELXISPBTRI-NSHDSACASA-N 50258666 (S)-1-(3-Bromo-2,2-difluoropropyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL466007 Caspase-7 Homo sapiens 1660 ChEMBL 10.1021/jm8015014 10.7270/Q2FN163D 19445513 Podichetty, AK; Wagner, S; Schroer, S; Faust, A; Schafers, M; Schober, O; Kopka, K; Haufe, G Westfalische Wilhelms-Universitat http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258666&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44158016 104109290 CHEMBL466007 ZINC40878041 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50497477 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccccc2[N+]([O-])=O)c2ccccc12 InChI=1S/C22H17N5O4/c1-13-14(11-12-17(23-13)15-7-3-6-10-19(15)27(30)31)21(28)25-24-20-16-8-4-5-9-18(16)26(2)22(20)29/h3-12H,1-2H3,(H,25,28)/b24-20- JYWRGSPABGGUKP-GFMRDNFCSA-N 50171503 CHEMBL3805109 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2016.04.031 10.7270/Q2X350CV 27216999 Deng, CB; Li, J; Li, LY; Sun, FJ The Fifth Affiliated Hospital of Guangzhou Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171503&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 127052602 346548541 CHEMBL3805109 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50497478 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2cccc(Cl)c2)c2ccccc12 InChI=1S/C22H17ClN4O2/c1-13-16(10-11-18(24-13)14-6-5-7-15(23)12-14)21(28)26-25-20-17-8-3-4-9-19(17)27(2)22(20)29/h3-12H,1-2H3,(H,26,28)/b25-20- QBXVDANXEKTWRA-QQTULTPQSA-N 50171506 CHEMBL3805942 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2016.04.031 10.7270/Q2X350CV 27216999 Deng, CB; Li, J; Li, LY; Sun, FJ The Fifth Affiliated Hospital of Guangzhou Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171506&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 127052896 346548543 CHEMBL3805942 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50497479 CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccc(F)cc2)c2ccccc12 InChI=1S/C22H17FN4O2/c1-13-16(11-12-18(24-13)14-7-9-15(23)10-8-14)21(28)26-25-20-17-5-3-4-6-19(17)27(2)22(20)29/h3-12H,1-2H3,(H,26,28)/b25-20- QYEAUKNOBXJJRH-QQTULTPQSA-N 50171526 CHEMBL3805744 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2016.04.031 10.7270/Q2X350CV 27216999 Deng, CB; Li, J; Li, LY; Sun, FJ The Fifth Affiliated Hospital of Guangzhou Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171526&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 127051669 346548548 CHEMBL3805744 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50497480 COc1ccc(cc1)-c1ccc(C(=O)N\N=C2/C(=O)N(C)c3ccccc23)c(C)n1 InChI=1S/C23H20N4O3/c1-14-17(12-13-19(24-14)15-8-10-16(30-3)11-9-15)22(28)26-25-21-18-6-4-5-7-20(18)27(2)23(21)29/h4-13H,1-3H3,(H,26,28)/b25-21- WVFSMYFEGGQSTH-DAFNUICNSA-N 50171532 CHEMBL3805972 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2016.04.031 10.7270/Q2X350CV 27216999 Deng, CB; Li, J; Li, LY; Sun, FJ The Fifth Affiliated Hospital of Guangzhou Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171532&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 127049834 346548554 CHEMBL3805972 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50497481 COc1cccc(c1)-c1ccc(C(=O)N\N=C2/C(=O)N(C)c3ccccc23)c(C)n1 InChI=1S/C23H20N4O3/c1-14-17(11-12-19(24-14)15-7-6-8-16(13-15)30-3)22(28)26-25-21-18-9-4-5-10-20(18)27(2)23(21)29/h4-13H,1-3H3,(H,26,28)/b25-21- UDYDPIXXBWHMAN-DAFNUICNSA-N 50171533 CHEMBL3805517 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2016.04.031 10.7270/Q2X350CV 27216999 Deng, CB; Li, J; Li, LY; Sun, FJ The Fifth Affiliated Hospital of Guangzhou Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171533&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 127049835 346548555 CHEMBL3805517 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50497482 COc1ccccc1-c1ccc(C(=O)N\N=C2/C(=O)N(C)c3ccccc23)c(C)n1 InChI=1S/C23H20N4O3/c1-14-15(12-13-18(24-14)16-8-5-7-11-20(16)30-3)22(28)26-25-21-17-9-4-6-10-19(17)27(2)23(21)29/h4-13H,1-3H3,(H,26,28)/b25-21- OBDPVVQROQZQBB-DAFNUICNSA-N 50171563 CHEMBL3805045 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2016.04.031 10.7270/Q2X350CV 27216999 Deng, CB; Li, J; Li, LY; Sun, FJ The Fifth Affiliated Hospital of Guangzhou Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171563&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 127049836 346548556 CHEMBL3805045 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50497483 COc1ccc(cc1OC)-c1ccc(C(=O)N\N=C2/C(=O)N(C)c3ccccc23)c(C)n1 InChI=1S/C24H22N4O4/c1-14-16(10-11-18(25-14)15-9-12-20(31-3)21(13-15)32-4)23(29)27-26-22-17-7-5-6-8-19(17)28(2)24(22)30/h5-13H,1-4H3,(H,27,29)/b26-22- BOUGUORPGNTYKT-ROMGYVFFSA-N 50171564 CHEMBL3805555 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.bmcl.2016.04.031 10.7270/Q2X350CV 27216999 Deng, CB; Li, J; Li, LY; Sun, FJ The Fifth Affiliated Hospital of Guangzhou Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171564&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 127049837 346548557 CHEMBL3805555 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50497484 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1 UMBVAPCONCILTL-MRHIQRDNSA-N 10246 (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid::Ac-DEVD-CHO::CHEMBL417149 Caspase-7 Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2016.04.031 10.7270/Q2X350CV 27216999 Deng, CB; Li, J; Li, LY; Sun, FJ The Fifth Affiliated Hospital of Guangzhou Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10246&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3H1P 644345 46510875 59385 CHEMBL417149 6527 ZINC03928290 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50597324 CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(=O)(=O)c1ccccc1 InChI=1S/C25H30N2O7S/c1-3-18(2)23(27-25(31)34-17-19-10-6-4-7-11-19)24(30)26-20(16-22(28)29)14-15-35(32,33)21-12-8-5-9-13-21/h4-15,18,20,23H,3,16-17H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)/t18-,20+,23-/m0/s1 IEZUTDJHDVXOKT-NOXFTYBFSA-N 50326093 (S)-3-((2S,3S)-2-(benzyloxycarbonylamino)-3-methylpentanamido)-5-(phenylsulfonyl)pent-4-enoic acid::CHEMBL1242610 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.ejmech.2010.05.039 10.7270/Q2X63N59 20541849 Newton, AS; Gloria, PM; Goncalves, LM; dos Santos, DJ; Moreira, R; Guedes, RC; Santos, MM University of Lisbon http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326093&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 46933460 123105208 CHEMBL1242610 ZINC64532024 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50597325 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O InChI=1S/C19H26N2O7S/c1-13(2)17(21-19(25)28-12-14-7-5-4-6-8-14)18(24)20-15(11-16(22)23)9-10-29(3,26)27/h4-10,13,15,17H,11-12H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-,17+/m1/s1 CCVBKVXTZSDRHL-WBVHZDCISA-N 50326094 (S)-3-((S)-2-(benzyloxycarbonylamino)-3-methylbutanamido)-5-(methylsulfonyl)pent-4-enoic acid::CHEMBL1242699 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.ejmech.2010.05.039 10.7270/Q2X63N59 20541849 Newton, AS; Gloria, PM; Goncalves, LM; dos Santos, DJ; Moreira, R; Guedes, RC; Santos, MM University of Lisbon http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326094&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 52948065 123105209 CHEMBL1242699 ZINC64532253 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50597326 CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O InChI=1S/C20H28N2O7S/c1-4-14(2)18(22-20(26)29-13-15-8-6-5-7-9-15)19(25)21-16(12-17(23)24)10-11-30(3,27)28/h5-11,14,16,18H,4,12-13H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)/t14-,16+,18-/m0/s1 UQMLLDGTZRBHQN-LESCRADOSA-N 50326095 (S)-3-((2S,3S)-2-(benzyloxycarbonylamino)-3-methylpentanamido)-5-(methylsulfonyl)pent-4-enoic acid::CHEMBL1242700 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.ejmech.2010.05.039 10.7270/Q2X63N59 20541849 Newton, AS; Gloria, PM; Goncalves, LM; dos Santos, DJ; Moreira, R; Guedes, RC; Santos, MM University of Lisbon http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326095&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 46933463 123105210 CHEMBL1242700 ZINC64532299 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50597327 CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=CS(=O)(=O)c1ccccc1 InChI=1S/C31H32N2O7S/c1-20(2)29(30(36)32-21(18-28(34)35)16-17-41(38,39)22-10-4-3-5-11-22)33-31(37)40-19-27-25-14-8-6-12-23(25)24-13-7-9-15-26(24)27/h3-17,20-21,27,29H,18-19H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)/t21-,29+/m1/s1 NDOWOWKBHNHTOP-PBBNMVCDSA-N 50326096 (S)-3-((S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-methylbutanamido)-5-(phenylsulfonyl)pent-4-enoic acid::CHEMBL1242788 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.ejmech.2010.05.039 10.7270/Q2X63N59 20541849 Newton, AS; Gloria, PM; Goncalves, LM; dos Santos, DJ; Moreira, R; Guedes, RC; Santos, MM University of Lisbon http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326096&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 46933464 123105211 CHEMBL1242788 ZINC64553562 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50597328 CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O InChI=1S/C26H30N2O7S/c1-16(2)24(25(31)27-17(14-23(29)30)12-13-36(3,33)34)28-26(32)35-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-13,16-17,22,24H,14-15H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t17-,24+/m1/s1 JRNVXXWCJAJTSN-OSPHWJPCSA-N 50326097 (S)-3-((S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-methylbutanamido)-5-(methylsulfonyl)pent-4-enoic acid::CHEMBL1242886 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.ejmech.2010.05.039 10.7270/Q2X63N59 20541849 Newton, AS; Gloria, PM; Goncalves, LM; dos Santos, DJ; Moreira, R; Guedes, RC; Santos, MM University of Lisbon http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326097&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 46933615 123105212 CHEMBL1242886 ZINC64532134 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50597329 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1 UMBVAPCONCILTL-MRHIQRDNSA-N 10246 (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid::Ac-DEVD-CHO::CHEMBL417149 Caspase-7 Homo sapiens 59.1 ChEMBL 10.1016/j.ejmech.2010.05.039 10.7270/Q2X63N59 20541849 Newton, AS; Gloria, PM; Goncalves, LM; dos Santos, DJ; Moreira, R; Guedes, RC; Santos, MM University of Lisbon http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10246&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3H1P 644345 46510875 59385 CHEMBL417149 6527 ZINC03928290 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50597343 OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C=CS(=O)(=O)c1ccccc1 InChI=1S/C26H23NO6S/c28-25(29)16-18(14-15-34(31,32)19-8-2-1-3-9-19)27-26(30)33-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-15,18,24H,16-17H2,(H,27,30)(H,28,29)/t18-/m1/s1 OZQBABVXNLJIIY-GOSISDBHSA-N 50326100 (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-5-(phenylsulfonyl)pent-4-enoic acid::CHEMBL1242421 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.ejmech.2010.05.039 10.7270/Q2X63N59 20541849 Newton, AS; Gloria, PM; Goncalves, LM; dos Santos, DJ; Moreira, R; Guedes, RC; Santos, MM University of Lisbon http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326100&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 46933021 123105215 CHEMBL1242421 ZINC64521416 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50597344 CS(=O)(=O)C=C[C@H](CC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12 InChI=1S/C21H21NO6S/c1-29(26,27)11-10-14(12-20(23)24)22-21(25)28-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-11,14,19H,12-13H2,1H3,(H,22,25)(H,23,24)/t14-/m1/s1 AIDZDWDPPSGMCR-CQSZACIVSA-N 50326101 (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-5-(methylsulfonyl)pent-4-enoic acid::CHEMBL1242422 Caspase-7 Homo sapiens >200000 ChEMBL 10.1016/j.ejmech.2010.05.039 10.7270/Q2X63N59 20541849 Newton, AS; Gloria, PM; Goncalves, LM; dos Santos, DJ; Moreira, R; Guedes, RC; Santos, MM University of Lisbon http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326101&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 46933163 123105216 CHEMBL1242422 ZINC64521436 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631306 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 InChI=1S/C27H25FN2O6S/c28-13-15-35-22-8-6-19(7-9-22)17-29-25-11-10-23(16-24(25)26(31)27(29)32)37(33,34)30-14-12-20(30)18-36-21-4-2-1-3-5-21/h1-11,16,20H,12-15,17-18H2/t20-/m0/s1 TYGQNSUHNPKJOA-FQEVSTJZSA-N 50340526 (S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymethyl)azetidin-1-ylsulfonyl)indoline-2,3-dione::CHEMBL1762346 Caspase-7 Homo sapiens 26.1 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340526&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25217145 131343462 CHEMBL1762346 ZINC59112422 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631307 FCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 InChI=1S/C29H29FN2O7S/c30-13-15-37-16-17-38-24-8-6-21(7-9-24)19-31-27-11-10-25(18-26(27)28(33)29(31)34)40(35,36)32-14-12-22(32)20-39-23-4-2-1-3-5-23/h1-11,18,22H,12-17,19-20H2/t22-/m0/s1 BKPXQFIGDXODGX-QFIPXVFZSA-N 50340527 (S)-1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-5-(2-(phenoxymethyl)azetidin-1-ylsulfonyl)indoline-2,3-dione::CHEMBL1762347 Caspase-7 Homo sapiens 28.9 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340527&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 54580470 131343463 CHEMBL1762347 ZINC71329572 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631308 FCCOCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 InChI=1S/C31H33FN2O8S/c32-13-15-39-16-17-40-18-19-41-26-8-6-23(7-9-26)21-33-29-11-10-27(20-28(29)30(35)31(33)36)43(37,38)34-14-12-24(34)22-42-25-4-2-1-3-5-25/h1-11,20,24H,12-19,21-22H2/t24-/m0/s1 RHNPIGHUWVOJIW-DEOSSOPVSA-N 50340528 (S)-1-(4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)benzyl)-5-(2-(phenoxymethyl)azetidin-1-ylsulfonyl)indoline-2,3-dione::CHEMBL1762348 Caspase-7 Homo sapiens 19.2 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340528&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 54586343 131343464 CHEMBL1762348 ZINC71329600 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631309 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1 InChI=1S/C26H24FN3O6S/c27-10-13-35-20-5-3-18(4-6-20)16-29-24-8-7-22(14-23(24)25(31)26(29)32)37(33,34)30-12-9-19(30)17-36-21-2-1-11-28-15-21/h1-8,11,14-15,19H,9-10,12-13,16-17H2/t19-/m0/s1 YYTCWUDLORCZAE-IBGZPJMESA-N 50340529 (S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-((pyridin-3-yloxy)methyl)azetidin-1-ylsulfonyl)indoline-2,3-dione::CHEMBL1762349 Caspase-7 Homo sapiens 17.6 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340529&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 52918163 131343465 CHEMBL1762349 ZINC71316755 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631310 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1 InChI=1S/C25H23N3O6S/c1-33-19-6-4-17(5-7-19)15-27-23-9-8-21(13-22(23)24(29)25(27)30)35(31,32)28-12-10-18(28)16-34-20-3-2-11-26-14-20/h2-9,11,13-14,18H,10,12,15-16H2,1H3/t18-/m0/s1 YDPWIEQYFRHMKK-SFHVURJKSA-N 50340530 (S)-1-(4-methoxybenzyl)-5-(2-((pyridin-3-yloxy)methyl)azetidin-1-ylsulfonyl)indoline-2,3-dione::CHEMBL1762350 Caspase-7 Homo sapiens 10.2 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340530&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 54587376 131343466 CHEMBL1762350 ZINC71318989 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631311 FCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C30H31FN2O7S/c31-14-16-38-17-18-39-25-10-8-22(9-11-25)20-32-28-13-12-26(19-27(28)29(34)30(32)35)41(36,37)33-15-4-5-23(33)21-40-24-6-2-1-3-7-24/h1-3,6-13,19,23H,4-5,14-18,20-21H2/t23-/m0/s1 SVBRVLOFXVNEPG-QHCPKHFHSA-N 50340531 (S)-1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-5-(2-(phenoxymethyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione::CHEMBL1762351 Caspase-7 Homo sapiens 11.9 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340531&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 54581481 131343467 CHEMBL1762351 ZINC71318148 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631312 FCCOCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C32H35FN2O8S/c33-14-16-40-17-18-41-19-20-42-27-10-8-24(9-11-27)22-34-30-13-12-28(21-29(30)31(36)32(34)37)44(38,39)35-15-4-5-25(35)23-43-26-6-2-1-3-7-26/h1-3,6-13,21,25H,4-5,14-20,22-23H2/t25-/m0/s1 XBDITFWCQVJBBF-VWLOTQADSA-N 50340532 (S)-1-(4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)benzyl)-5-(2-(phenoxymethyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione::CHEMBL1762352 Caspase-7 Homo sapiens 17.6 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340532&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 54582484 131343468 CHEMBL1762352 ZINC71329940 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631313 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 InChI=1S/C27H26FN3O6S/c28-11-14-36-21-7-5-19(6-8-21)17-30-25-10-9-23(15-24(25)26(32)27(30)33)38(34,35)31-13-2-3-20(31)18-37-22-4-1-12-29-16-22/h1,4-10,12,15-16,20H,2-3,11,13-14,17-18H2/t20-/m0/s1 IYOWHFAECQXBOU-FQEVSTJZSA-N 50340533 (S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-((pyridin-3-yloxy)methyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione::CHEMBL1762353 Caspase-7 Homo sapiens 11.3 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340533&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 52918177 131343469 CHEMBL1762353 ZINC71318625 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631314 FCCOc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 InChI=1S/C30H25FN4O5S/c31-13-15-39-25-8-6-21(7-9-25)19-34-28-11-10-26(16-27(28)29(30(34)36)22(17-32)18-33)41(37,38)35-14-12-23(35)20-40-24-4-2-1-3-5-24/h1-11,16,23H,12-15,19-20H2/t23-/m0/s1 ZNNUDGYAGWASQI-QHCPKHFHSA-N 50340534 (S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-(phenoxymethyl)azetidin-1-ylsulfonyl)indolin-3-ylidene)malononitrile::CHEMBL1762354 Caspase-7 Homo sapiens 292 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340534&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 54583923 131343470 CHEMBL1762354 ZINC71329676 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631315 FCCOCCOc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 InChI=1S/C32H29FN4O6S/c33-13-15-41-16-17-42-27-8-6-23(7-9-27)21-36-30-11-10-28(18-29(30)31(32(36)38)24(19-34)20-35)44(39,40)37-14-12-25(37)22-43-26-4-2-1-3-5-26/h1-11,18,25H,12-17,21-22H2/t25-/m0/s1 XRPCYJXACIMBQT-VWLOTQADSA-N 50340535 (S)-2-(1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-2-oxo-5-(2-(phenoxymethyl)azetidin-1-ylsulfonyl)indolin-3-ylidene)malononitrile::CHEMBL1762355 Caspase-7 Homo sapiens 68.3 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340535&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 54585834 131343471 CHEMBL1762355 ZINC71316369 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631316 FCCOc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1 InChI=1S/C29H24FN5O5S/c30-10-13-39-23-5-3-20(4-6-23)18-34-27-8-7-25(14-26(27)28(29(34)36)21(15-31)16-32)41(37,38)35-12-9-22(35)19-40-24-2-1-11-33-17-24/h1-8,11,14,17,22H,9-10,12-13,18-19H2/t22-/m0/s1 MQOWAMOYYRRNAD-QFIPXVFZSA-N 50340536 (S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-((pyridin-3-yloxy)methyl)azetidin-1-ylsulfonyl)indolin-3-ylidene)malononitrile::CHEMBL1762356 Caspase-7 Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340536&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25217031 131343472 CHEMBL1762356 ZINC59112237 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631317 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1 InChI=1S/C28H23N5O5S/c1-37-22-6-4-19(5-7-22)17-32-26-9-8-24(13-25(26)27(28(32)34)20(14-29)15-30)39(35,36)33-12-10-21(33)18-38-23-3-2-11-31-16-23/h2-9,11,13,16,21H,10,12,17-18H2,1H3/t21-/m0/s1 AXPHIWHBKKIIHR-NRFANRHFSA-N 50340537 (S)-2-(1-(4-methoxybenzyl)-2-oxo-5-(2-((pyridin-3-yloxy)methyl)azetidin-1-ylsulfonyl)indolin-3-ylidene)malononitrile::CHEMBL1762357 Caspase-7 Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340537&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25217029 131343473 CHEMBL1762357 ZINC59112235 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631318 FCCOc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C31H27FN4O5S/c32-14-16-40-26-10-8-22(9-11-26)20-35-29-13-12-27(17-28(29)30(31(35)37)23(18-33)19-34)42(38,39)36-15-4-5-24(36)21-41-25-6-2-1-3-7-25/h1-3,6-13,17,24H,4-5,14-16,20-21H2/t24-/m0/s1 VYSDHBGLMKHIHW-DEOSSOPVSA-N 50340538 (S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-(phenoxymethyl)pyrrolidin-1-ylsulfonyl)indolin-3-ylidene)malononitrile::CHEMBL1762358 Caspase-7 Homo sapiens 96.3 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340538&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25217032 131343474 CHEMBL1762358 ZINC59111999 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631319 FCCOCCOc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 InChI=1S/C33H31FN4O6S/c34-14-16-42-17-18-43-28-10-8-24(9-11-28)22-37-31-13-12-29(19-30(31)32(33(37)39)25(20-35)21-36)45(40,41)38-15-4-5-26(38)23-44-27-6-2-1-3-7-27/h1-3,6-13,19,26H,4-5,14-18,22-23H2/t26-/m0/s1 MGOAXAFMVAMUSS-SANMLTNESA-N 50340539 (S)-2-(1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-2-oxo-5-(2-(phenoxymethyl)pyrrolidin-1-ylsulfonyl)indolin-3-ylidene)malononitrile::CHEMBL1762359 Caspase-7 Homo sapiens 70 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340539&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 54581987 131343475 CHEMBL1762359 ZINC72129914 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631320 FCCOc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 InChI=1S/C30H26FN5O5S/c31-11-14-40-24-7-5-21(6-8-24)19-35-28-10-9-26(15-27(28)29(30(35)37)22(16-32)17-33)42(38,39)36-13-2-3-23(36)20-41-25-4-1-12-34-18-25/h1,4-10,12,15,18,23H,2-3,11,13-14,19-20H2/t23-/m0/s1 GBZADWJJEMZOEZ-QHCPKHFHSA-N 50340540 (S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-((pyridin-3-yloxy)methyl)pyrrolidin-1-ylsulfonyl)indolin-3-ylidene)malononitrile::CHEMBL1762360 Caspase-7 Homo sapiens 26.5 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340540&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25217030 131343476 CHEMBL1762360 ZINC59112236 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631321 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)nn1 InChI=1S/C23H22FN5O5S/c24-9-11-27-13-16(25-26-27)14-28-21-7-6-19(12-20(21)22(30)23(28)31)35(32,33)29-10-8-17(29)15-34-18-4-2-1-3-5-18/h1-7,12-13,17H,8-11,14-15H2/t17-/m0/s1 RVXFIJCZJQLWSY-KRWDZBQOSA-N 50340541 (S)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)methyl)-5-(2-(phenoxymethyl)azetidin-1-ylsulfonyl)indoline-2,3-dione::CHEMBL1762361 Caspase-7 Homo sapiens 18 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340541&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 54584867 131343477 CHEMBL1762361 ZINC71296945 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631322 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)nn1 InChI=1S/C22H21FN6O5S/c23-6-9-27-12-15(25-26-27)13-28-20-4-3-18(10-19(20)21(30)22(28)31)35(32,33)29-8-5-16(29)14-34-17-2-1-7-24-11-17/h1-4,7,10-12,16H,5-6,8-9,13-14H2/t16-/m0/s1 QGTNZCUWEMSWQW-INIZCTEOSA-N 50340542 (S)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)methyl)-5-(2-((pyridin-3-yloxy)methyl)azetidin-1-ylsulfonyl)indoline-2,3-dione::CHEMBL1762362 Caspase-7 Homo sapiens 6.1 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340542&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 52918179 131343478 CHEMBL1762362 ZINC71318920 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631323 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)nn1 InChI=1S/C24H24FN5O5S/c25-10-12-28-14-17(26-27-28)15-29-22-9-8-20(13-21(22)23(31)24(29)32)36(33,34)30-11-4-5-18(30)16-35-19-6-2-1-3-7-19/h1-3,6-9,13-14,18H,4-5,10-12,15-16H2/t18-/m0/s1 HYYDYCCTMBTVAC-SFHVURJKSA-N 50273337 (S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)methyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)isatin::CHEMBL456798 Caspase-7 Homo sapiens 12.4 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273337&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25179144 104117486 CHEMBL456798 ZINC40846581 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631324 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)nn1 InChI=1S/C23H23FN6O5S/c24-7-10-28-13-16(26-27-28)14-29-21-6-5-19(11-20(21)22(31)23(29)32)36(33,34)30-9-2-3-17(30)15-35-18-4-1-8-25-12-18/h1,4-6,8,11-13,17H,2-3,7,9-10,14-15H2/t17-/m0/s1 XUUQUFQWQGVYPU-KRWDZBQOSA-N 50340543 (S)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)methyl)-5-(2-((pyridin-3-yloxy)methyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione::CHEMBL1762363 Caspase-7 Homo sapiens 3.8 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340543&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 52918178 131343479 CHEMBL1762363 ZINC71330531 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631325 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)cc1 InChI=1S/C27H23F3N2O6S/c28-10-12-37-20-4-1-17(2-5-20)15-31-24-7-6-21(14-22(24)26(33)27(31)34)39(35,36)32-11-9-19(32)16-38-25-8-3-18(29)13-23(25)30/h1-8,13-14,19H,9-12,15-16H2/t19-/m0/s1 SNETYMFZDXAJJJ-IBGZPJMESA-N 50340544 (S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-ylsulfonyl)-1-(4-(2-fluoroethoxy)benzyl)indoline-2,3-dione::CHEMBL1762364 Caspase-7 Homo sapiens 15.4 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340544&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 54583924 131343480 CHEMBL1762364 ZINC71329215 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631326 FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)cc1 InChI=1S/C28H25F3N2O6S/c29-11-13-38-21-6-3-18(4-7-21)16-32-25-9-8-22(15-23(25)27(34)28(32)35)40(36,37)33-12-1-2-20(33)17-39-26-10-5-19(30)14-24(26)31/h3-10,14-15,20H,1-2,11-13,16-17H2/t20-/m0/s1 YIJAKKNPGYYTDG-FQEVSTJZSA-N 50340545 (S)-5-(2-((2,4-difluorophenoxy)methyl)pyrrolidin-1-ylsulfonyl)-1-(4-(2-fluoroethoxy)benzyl)indoline-2,3-dione::CHEMBL1762365 Caspase-7 Homo sapiens 12.3 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340545&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 54582924 131343481 CHEMBL1762365 ZINC71296454 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631327 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1 InChI=1S/C23H20F3N5O5S/c24-6-8-29-11-15(27-28-29)12-30-20-3-2-17(10-18(20)22(32)23(30)33)37(34,35)31-7-5-16(31)13-36-21-4-1-14(25)9-19(21)26/h1-4,9-11,16H,5-8,12-13H2/t16-/m0/s1 IPBPQSZVGDLNHE-INIZCTEOSA-N 50340546 (S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-ylsulfonyl)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)methyl)indoline-2,3-dione::CHEMBL1762366 Caspase-7 Homo sapiens 15.3 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340546&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 54583925 131343482 CHEMBL1762366 ZINC71316002 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631328 FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)nn1 InChI=1S/C24H22F3N5O5S/c25-7-9-30-12-16(28-29-30)13-31-21-5-4-18(11-19(21)23(33)24(31)34)38(35,36)32-8-1-2-17(32)14-37-22-6-3-15(26)10-20(22)27/h3-6,10-12,17H,1-2,7-9,13-14H2/t17-/m0/s1 XBILASWQSBQTIV-KRWDZBQOSA-N 50273338 (S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)methyl)-5-(2(2,4-difluorophenoxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL456799 Caspase-7 Homo sapiens 11.6 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273338&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 25179141 104117487 CHEMBL456799 ZINC44352670 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50631329 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1 UMBVAPCONCILTL-MRHIQRDNSA-N 10246 (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid::Ac-DEVD-CHO::CHEMBL417149 Caspase-7 Homo sapiens 2.9 ChEMBL 10.1016/j.bmcl.2011.03.015 10.7270/Q2TB176G 21441025 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Washington University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10246&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3H1P 644345 46510875 59385 CHEMBL417149 6527 ZINC03928290 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50742165 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13?,16-/m0/s1 LYBWGROBJJXCJJ-VYIIXAMBSA-N 50140543 3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-5-fluoro-4-oxo-pentanoic acid::CHEMBL23226::Z-Val-Asp-fmk Caspase-7 Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2003.12.065 10.7270/Q2V988NB 14980679 Wang, Y; Huang, JC; Zhou, ZL; Yang, W; Guastella, J; Drewe, J; Cai, SX Maxim Pharmaceuticals Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50140543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50140543&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9821317 104030122 CHEMBL23226 ZINC11686663 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50905137 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1 JZYWSTGTBRHGTL-BIXXXADNSA-N 50302107 CHEMBL567893::Grassystatin A Caspase-7 Homo sapiens 5000 ChEMBL 10.1021/jm9009394 10.7270/Q2BG2PXP 19715320 Kwan, JC; Eksioglu, EA; Liu, C; Paul, VJ; Luesch, H University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50302107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50302107&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44255320 104156468 CHEMBL567893 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51045104 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O InChI=1S/C30H45N5O10S/c1-6-19(4)26(29(41)32-21(16-24(37)38)14-15-46(5,43)44)34-27(39)22(12-13-23(31)36)33-28(40)25(18(2)3)35-30(42)45-17-20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,25-26H,6,12-13,16-17H2,1-5H3,(H2,31,36)(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,37,38)/t19-,21+,22-,25-,26-/m0/s1 NPQYORAPVDDBMZ-UFWQFZHTSA-N 50426562 CHEMBL2324339 Caspase-7 Homo sapiens >100000 ChEMBL 10.1021/ml400021b 10.7270/Q2736S86 24900651 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50426562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50426562&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71719897 164155437 CHEMBL2324339 ZINC95581513 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51045111 CC(C)(C)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C24H33ClN4O7S/c1-24(2,3)20(28-21(32)14-7-8-17(26)16(25)12-14)23(34)29-10-5-6-18(29)22(33)27-15(13-19(30)31)9-11-37(4,35)36/h7-9,11-12,15,18,20H,5-6,10,13,26H2,1-4H3,(H,27,33)(H,28,32)(H,30,31)/b11-9+/t15-,18+,20+/m1/s1 FJKDUHWEJJLMQP-KDAQYEFXSA-N 50426564 CHEMBL2323966 Caspase-7 Homo sapiens 24500 ChEMBL 10.1021/ml400021b 10.7270/Q2736S86 24900651 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50426564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50426564&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71720507 164155439 CHEMBL2323966 ZINC95583085 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51045112 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O InChI=1S/C36H46N6O10S/c1-4-22(2)32(35(48)39-25(19-31(44)45)16-17-53(3,50)51)42-33(46)28(14-15-30(37)43)40-34(47)29(18-24-20-38-27-13-9-8-12-26(24)27)41-36(49)52-21-23-10-6-5-7-11-23/h5-13,16-17,20,22,25,28-29,32,38H,4,14-15,18-19,21H2,1-3H3,(H2,37,43)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,44,45)/t22-,25+,28-,29-,32-/m0/s1 NFNHDUDACIDJAE-WJJMFJPASA-N 50426565 CHEMBL2324340 Caspase-7 Homo sapiens 23700 ChEMBL 10.1021/ml400021b 10.7270/Q2736S86 24900651 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50426565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50426565&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71718085 164155440 CHEMBL2324340 ZINC95581891 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51045138 CC(C)(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O InChI=1S/C28H38N4O11S/c1-28(2,3)23(31-24(37)19(15-22(35)36)30-27(40)43-16-17-8-6-5-7-9-17)26(39)32-12-10-20(32)25(38)29-18(14-21(33)34)11-13-44(4,41)42/h5-9,11,13,18-20,23H,10,12,14-16H2,1-4H3,(H,29,38)(H,30,40)(H,31,37)(H,33,34)(H,35,36)/t18-,19+,20+,23-/m1/s1 RGINHWLPKMMZFM-QTDGGUCWSA-N 50426563 CHEMBL2323967 Caspase-7 Homo sapiens 500 ChEMBL 10.1021/ml400021b 10.7270/Q2736S86 24900651 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50426563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50426563&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71716242 164155438 CHEMBL2323967 ZINC95583147 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51045143 CCOC(=O)\C=C\[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C InChI=1S/C33H40N4O11/c1-4-47-27(42)16-15-23(17-25(38)39)34-31(44)28(20(2)3)36-32(45)29(22-13-9-6-10-14-22)37-30(43)24(18-26(40)41)35-33(46)48-19-21-11-7-5-8-12-21/h5-16,20,23-24,28-29H,4,17-19H2,1-3H3,(H,34,44)(H,35,46)(H,36,45)(H,37,43)(H,38,39)(H,40,41)/b16-15+/t23-,24+,28+,29+/m1/s1 YPVHLSJXDPMUQA-FXWAWSABSA-N 50426566 CHEMBL2324341 Caspase-7 Homo sapiens 150 ChEMBL 10.1021/ml400021b 10.7270/Q2736S86 24900651 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50426566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50426566&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71471109 164155441 CHEMBL2324341 ZINC95584156 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 50996950 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1 PFAYCUAUBOGVDX-AWEZNQCLSA-N 10320 (S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL293034::IST-2::Isatin Sulfonamide 31::Pyrrolidine Isatin Analogue 11a Caspase-7 Homo sapiens 47 ChEMBL 10.1021/jm000060f 10.7270/Q2416W98 10978183 Talanian, RV; Brady, KD; Cryns, VL BASF Bioresearch Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10320&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search MSI 1GFW 5288850 46510947 CHEMBL293034 DB08213 ZINC03870526 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51063699 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@@H](F)CO)C(=O)C(=O)c2c1 InChI=1S/C18H23FN2O6S/c1-27-11-13-3-2-7-21(13)28(25,26)14-4-5-16-15(9-14)17(23)18(24)20(16)8-6-12(19)10-22/h4-5,9,12-13,22H,2-3,6-8,10-11H2,1H3/t12-,13+/m1/s1 OEZQRTUGLYPVGI-OLZOCXBDSA-N 50434073 CHEMBL2381346 Caspase-7 Homo sapiens 71 ChEMBL 10.1021/jm400257a 10.7270/Q2MP54N5 23656488 Limpachayaporn, P; Wagner, S; Kopka, K; Hermann, S; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50434073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50434073&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71682310 175446390 CHEMBL2381346 ZINC96270217 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51063700 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@H](O)CF)C(=O)C(=O)c2c1 InChI=1S/C18H23FN2O6S/c1-27-11-12-3-2-7-21(12)28(25,26)14-4-5-16-15(9-14)17(23)18(24)20(16)8-6-13(22)10-19/h4-5,9,12-13,22H,2-3,6-8,10-11H2,1H3/t12-,13-/m0/s1 APKUVGMUIXJJAR-STQMWFEESA-N 50434074 CHEMBL2381345 Caspase-7 Homo sapiens 27 ChEMBL 10.1021/jm400257a 10.7270/Q2MP54N5 23656488 Limpachayaporn, P; Wagner, S; Kopka, K; Hermann, S; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50434074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50434074&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71682162 175446391 CHEMBL2381345 ZINC40954806 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51063701 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@H](O)CO)C(=O)C(=O)c2c1 InChI=1S/C18H24N2O7S/c1-27-11-12-3-2-7-20(12)28(25,26)14-4-5-16-15(9-14)17(23)18(24)19(16)8-6-13(22)10-21/h4-5,9,12-13,21-22H,2-3,6-8,10-11H2,1H3/t12-,13-/m0/s1 RBQBJJBLAZNQJZ-STQMWFEESA-N 50434075 CHEMBL2381344 Caspase-7 Homo sapiens 103 ChEMBL 10.1021/jm400257a 10.7270/Q2MP54N5 23656488 Limpachayaporn, P; Wagner, S; Kopka, K; Hermann, S; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50434075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50434075&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71682004 175446392 CHEMBL2381344 ZINC40876127 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51063702 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@H](F)CO)C(=O)C(=O)c2c1 InChI=1S/C18H23FN2O6S/c1-27-11-13-3-2-7-21(13)28(25,26)14-4-5-16-15(9-14)17(23)18(24)20(16)8-6-12(19)10-22/h4-5,9,12-13,22H,2-3,6-8,10-11H2,1H3/t12-,13-/m0/s1 OEZQRTUGLYPVGI-STQMWFEESA-N 50434076 CHEMBL2381343 Caspase-7 Homo sapiens 0.951000 ChEMBL 10.1021/jm400257a 10.7270/Q2MP54N5 23656488 Limpachayaporn, P; Wagner, S; Kopka, K; Hermann, S; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50434076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50434076&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71682311 175446393 CHEMBL2381343 ZINC96270218 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51063703 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@@H](O)CF)C(=O)C(=O)c2c1 InChI=1S/C18H23FN2O6S/c1-27-11-12-3-2-7-21(12)28(25,26)14-4-5-16-15(9-14)17(23)18(24)20(16)8-6-13(22)10-19/h4-5,9,12-13,22H,2-3,6-8,10-11H2,1H3/t12-,13+/m0/s1 APKUVGMUIXJJAR-QWHCGFSZSA-N 50434077 CHEMBL2381348 Caspase-7 Homo sapiens 296 ChEMBL 10.1021/jm400257a 10.7270/Q2MP54N5 23656488 Limpachayaporn, P; Wagner, S; Kopka, K; Hermann, S; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50434077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50434077&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71682161 175446394 CHEMBL2381348 ZINC40954808 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51063704 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@@H](O)CO)C(=O)C(=O)c2c1 InChI=1S/C18H24N2O7S/c1-27-11-12-3-2-7-20(12)28(25,26)14-4-5-16-15(9-14)17(23)18(24)19(16)8-6-13(22)10-21/h4-5,9,12-13,21-22H,2-3,6-8,10-11H2,1H3/t12-,13+/m0/s1 RBQBJJBLAZNQJZ-QWHCGFSZSA-N 50434078 CHEMBL2381349 Caspase-7 Homo sapiens 128 ChEMBL 10.1021/jm400257a 10.7270/Q2MP54N5 23656488 Limpachayaporn, P; Wagner, S; Kopka, K; Hermann, S; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50434078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50434078&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71682003 175446395 CHEMBL2381349 ZINC40876131 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51063705 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1 SLQMNVJNDYLJSF-VIFPVBQESA-N 10305 (S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isatin::5-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60190::Isatin Sulfonamide 16 Caspase-7 Homo sapiens 1290 ChEMBL 10.1021/jm400257a 10.7270/Q2MP54N5 23656488 Limpachayaporn, P; Wagner, S; Kopka, K; Hermann, S; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10305&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9840223 46510932 CHEMBL60190 ZINC03871900 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51063713 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1 PFAYCUAUBOGVDX-AWEZNQCLSA-N 10320 (S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL293034::IST-2::Isatin Sulfonamide 31::Pyrrolidine Isatin Analogue 11a Caspase-7 Homo sapiens 47 ChEMBL 10.1021/jm400257a 10.7270/Q2MP54N5 23656488 Limpachayaporn, P; Wagner, S; Kopka, K; Hermann, S; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10320&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search MSI 1GFW 5288850 46510947 CHEMBL293034 DB08213 ZINC03870526 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51063715 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1 SLQMNVJNDYLJSF-VIFPVBQESA-N 10305 (S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isatin::5-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60190::Isatin Sulfonamide 16 Caspase-7 Homo sapiens 170 ChEMBL 10.1021/jm400257a 10.7270/Q2MP54N5 23656488 Limpachayaporn, P; Wagner, S; Kopka, K; Hermann, S; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10305&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9840223 46510932 CHEMBL60190 ZINC03871900 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067719 COC[C@@H]1CC[C@@H](COC)N1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 InChI=1S/C20H27FN2O6S/c1-28-12-14-5-6-15(13-29-2)23(14)30(26,27)16-7-8-18-17(11-16)19(24)20(25)22(18)10-4-3-9-21/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3/t14-,15-/m0/s1 CQZGDWVTSVZNOU-GJZGRUSLSA-N 50435963 CHEMBL2391981 Caspase-7 Homo sapiens 47800 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435963&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71699066 175448280 CHEMBL2391981 ZINC96271845 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067720 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1[C@H](COC)CC[C@H]1COC InChI=1S/C20H28N2O6S/c1-4-5-10-21-18-9-8-16(11-17(18)19(23)20(21)24)29(25,26)22-14(12-27-2)6-7-15(22)13-28-3/h8-9,11,14-15H,4-7,10,12-13H2,1-3H3/t14-,15-/m0/s1 VLFCBGNDZUZPHA-GJZGRUSLSA-N 50435964 CHEMBL2391980 Caspase-7 Homo sapiens 11900 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435964&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698977 175448281 CHEMBL2391980 ZINC96271846 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067721 COC[C@@H]1CC[C@@H](COC)N1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C16H20N2O6S/c1-23-8-10-3-4-11(9-24-2)18(10)25(21,22)12-5-6-14-13(7-12)15(19)16(20)17-14/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,19,20)/t10-,11-/m0/s1 KZJOHAIKJPMFAP-QWRGUYRKSA-N 50435965 CHEMBL2391979 Caspase-7 Homo sapiens >500000 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435965&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698717 175448282 CHEMBL2391979 ZINC96271847 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067722 COC[C@H]1CC[C@@H](COC)N1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 InChI=1S/C20H27FN2O6S/c1-28-12-14-5-6-15(13-29-2)23(14)30(26,27)16-7-8-18-17(11-16)19(24)20(25)22(18)10-4-3-9-21/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3/t14-,15+ CQZGDWVTSVZNOU-GASCZTMLSA-N 50435966 CHEMBL2391978 Caspase-7 Homo sapiens >500000 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435966&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698978 175448283 CHEMBL2391978 ZINC96271848 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067723 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1[C@@H](COC)CC[C@H]1COC InChI=1S/C20H28N2O6S/c1-4-5-10-21-18-9-8-16(11-17(18)19(23)20(21)24)29(25,26)22-14(12-27-2)6-7-15(22)13-28-3/h8-9,11,14-15H,4-7,10,12-13H2,1-3H3/t14-,15+ VLFCBGNDZUZPHA-GASCZTMLSA-N 50435967 CHEMBL2391977 Caspase-7 Homo sapiens >500000 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435967&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698976 175448284 CHEMBL2391977 ZINC96271849 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067724 COC[C@H]1CC[C@@H](COC)N1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C16H20N2O6S/c1-23-8-10-3-4-11(9-24-2)18(10)25(21,22)12-5-6-14-13(7-12)15(19)16(20)17-14/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,19,20)/t10-,11+ KZJOHAIKJPMFAP-PHIMTYICSA-N 50435968 CHEMBL2391976 Caspase-7 Homo sapiens >500000 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435968&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698716 175448285 CHEMBL2391976 ZINC96271850 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067725 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC(F)(F)C[C@H]1COC InChI=1S/C18H22F2N2O5S/c1-3-4-7-21-15-6-5-13(8-14(15)16(23)17(21)24)28(25,26)22-11-18(19,20)9-12(22)10-27-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3/t12-/m0/s1 YGAZOKVINIORNI-LBPRGKRZSA-N 50435969 CHEMBL2391975 Caspase-7 Homo sapiens 178 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435969&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698535 175448286 CHEMBL2391975 ZINC96271851 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067726 COC[C@@H]1CC(F)(F)CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C14H14F2N2O5S/c1-23-6-8-5-14(15,16)7-18(8)24(21,22)9-2-3-11-10(4-9)12(19)13(20)17-11/h2-4,8H,5-7H2,1H3,(H,17,19,20)/t8-/m0/s1 FBPQWCPXJYSLDT-QMMMGPOBSA-N 50435970 CHEMBL2391974 Caspase-7 Homo sapiens 14900 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435970&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698534 175448287 CHEMBL2391974 ZINC96271852 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067727 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@@H](F)C[C@H]1COC InChI=1S/C18H23FN2O5S/c1-3-4-7-20-16-6-5-14(9-15(16)17(22)18(20)23)27(24,25)21-10-12(19)8-13(21)11-26-2/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3/t12-,13-/m0/s1 LENVLTQYSOQOPN-STQMWFEESA-N 50435971 CHEMBL2391868 Caspase-7 Homo sapiens 1250 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435971&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698975 175448288 CHEMBL2391868 ZINC96271853 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067728 COC[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C14H15FN2O5S/c1-22-7-9-4-8(15)6-17(9)23(20,21)10-2-3-12-11(5-10)13(18)14(19)16-12/h2-3,5,8-9H,4,6-7H2,1H3,(H,16,18,19)/t8-,9-/m0/s1 RNTJRFOJSZEGIR-IUCAKERBSA-N 50435972 CHEMBL2391867 Caspase-7 Homo sapiens 12100 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435972&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698973 175448289 CHEMBL2391867 ZINC96271854 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067729 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@H](F)C[C@H]1COC InChI=1S/C18H23FN2O5S/c1-3-4-7-20-16-6-5-14(9-15(16)17(22)18(20)23)27(24,25)21-10-12(19)8-13(21)11-26-2/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3/t12-,13+/m1/s1 LENVLTQYSOQOPN-OLZOCXBDSA-N 50435973 CHEMBL2391866 Caspase-7 Homo sapiens 1880 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435973&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698974 175448290 CHEMBL2391866 ZINC96271855 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067730 COC[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C14H15FN2O5S/c1-22-7-9-4-8(15)6-17(9)23(20,21)10-2-3-12-11(5-10)13(18)14(19)16-12/h2-3,5,8-9H,4,6-7H2,1H3,(H,16,18,19)/t8-,9+/m1/s1 RNTJRFOJSZEGIR-BDAKNGLRSA-N 50435974 CHEMBL2391865 Caspase-7 Homo sapiens 8460 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435974&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698887 175448291 CHEMBL2391865 ZINC96271856 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067731 COC[C@@H]1C[C@@H](CN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1)C(F)(F)F InChI=1S/C19H22F4N2O5S/c1-30-11-13-8-12(19(21,22)23)10-25(13)31(28,29)14-4-5-16-15(9-14)17(26)18(27)24(16)7-3-2-6-20/h4-5,9,12-13H,2-3,6-8,10-11H2,1H3/t12-,13-/m0/s1 NNAOWWXACDVSSQ-STQMWFEESA-N 50435975 CHEMBL2391864 Caspase-7 Homo sapiens 147000 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435975&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698886 175448292 CHEMBL2391864 ZINC96271857 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067732 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@H](C[C@H]1COC)C(F)(F)F InChI=1S/C19H23F3N2O5S/c1-3-4-7-23-16-6-5-14(9-15(16)17(25)18(23)26)30(27,28)24-10-12(19(20,21)22)8-13(24)11-29-2/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3/t12-,13-/m0/s1 VOTKMSDBNDPLLK-STQMWFEESA-N 50435976 CHEMBL2391863 Caspase-7 Homo sapiens 78300 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435976&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698884 175448293 CHEMBL2391863 ZINC96271858 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067733 COC[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1)C(F)(F)F InChI=1S/C19H22F4N2O5S/c1-30-11-13-8-12(19(21,22)23)10-25(13)31(28,29)14-4-5-16-15(9-14)17(26)18(27)24(16)7-3-2-6-20/h4-5,9,12-13H,2-3,6-8,10-11H2,1H3/t12-,13+/m1/s1 NNAOWWXACDVSSQ-OLZOCXBDSA-N 50435977 CHEMBL2391861 Caspase-7 Homo sapiens 67700 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435977&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698885 175448294 CHEMBL2391861 ZINC96271859 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067734 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@@H](C[C@H]1COC)C(F)(F)F InChI=1S/C19H23F3N2O5S/c1-3-4-7-23-16-6-5-14(9-15(16)17(25)18(23)26)30(27,28)24-10-12(19(20,21)22)8-13(24)11-29-2/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3/t12-,13+/m1/s1 VOTKMSDBNDPLLK-OLZOCXBDSA-N 50435978 CHEMBL2391860 Caspase-7 Homo sapiens 52700 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435978&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698883 175448295 CHEMBL2391860 ZINC96271860 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067735 COC[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)C(F)(F)F InChI=1S/C15H15F3N2O5S/c1-25-7-9-4-8(15(16,17)18)6-20(9)26(23,24)10-2-3-12-11(5-10)13(21)14(22)19-12/h2-3,5,8-9H,4,6-7H2,1H3,(H,19,21,22)/t8-,9+/m1/s1 HHSNZQCVBCHZHK-BDAKNGLRSA-N 50435979 CHEMBL2391859 Caspase-7 Homo sapiens >500000 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435979&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698803 175448296 CHEMBL2391859 ZINC96271861 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067736 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@H](C[C@H]1COC)OCCOCCOCCOCCO InChI=1S/C26H40N2O10S/c1-3-4-7-27-24-6-5-22(17-23(24)25(30)26(27)31)39(32,33)28-18-21(16-20(28)19-34-2)38-15-14-37-13-12-36-11-10-35-9-8-29/h5-6,17,20-21,29H,3-4,7-16,18-19H2,1-2H3/t20-,21-/m0/s1 KVZOBKBSOJAWDL-SFTDATJTSA-N 50435980 CHEMBL2391858 Caspase-7 Homo sapiens >500000 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435980&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 73353489 175448297 CHEMBL2391858 ZINC96271862 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067737 COC[C@@H]1C[C@@H](CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)OCCOCCOCCOCCO InChI=1S/C22H32N2O10S/c1-30-15-16-12-17(34-11-10-33-9-8-32-7-6-31-5-4-25)14-24(16)35(28,29)18-2-3-20-19(13-18)21(26)22(27)23-20/h2-3,13,16-17,25H,4-12,14-15H2,1H3,(H,23,26,27)/t16-,17-/m0/s1 LFWWHMQTYPOGNR-IRXDYDNUSA-N 50435981 CHEMBL2391857 Caspase-7 Homo sapiens >500000 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435981&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 73347421 175448298 CHEMBL2391857 ZINC96271863 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067738 COC[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)OCCOCCOCCOCCO InChI=1S/C22H32N2O10S/c1-30-15-16-12-17(34-11-10-33-9-8-32-7-6-31-5-4-25)14-24(16)35(28,29)18-2-3-20-19(13-18)21(26)22(27)23-20/h2-3,13,16-17,25H,4-12,14-15H2,1H3,(H,23,26,27)/t16-,17+/m0/s1 LFWWHMQTYPOGNR-DLBZAZTESA-N 50435982 CHEMBL2391856 Caspase-7 Homo sapiens >500000 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435982&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 73354985 175448299 CHEMBL2391856 ZINC96271864 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067739 COC[C@@H]1C[C@@H](CN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1)OC InChI=1S/C19H25FN2O6S/c1-27-12-13-9-14(28-2)11-22(13)29(25,26)15-5-6-17-16(10-15)18(23)19(24)21(17)8-4-3-7-20/h5-6,10,13-14H,3-4,7-9,11-12H2,1-2H3/t13-,14-/m0/s1 VYMYMLZCAIOYEX-KBPBESRZSA-N 50435983 CHEMBL2391855 Caspase-7 Homo sapiens 42600 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435983&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698800 175448300 CHEMBL2391855 ZINC96271865 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067740 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@H](C[C@H]1COC)OC InChI=1S/C19H26N2O6S/c1-4-5-8-20-17-7-6-15(10-16(17)18(22)19(20)23)28(24,25)21-11-14(27-3)9-13(21)12-26-2/h6-7,10,13-14H,4-5,8-9,11-12H2,1-3H3/t13-,14-/m0/s1 KPMJWBPFRVMQAJ-KBPBESRZSA-N 50435984 CHEMBL2391854 Caspase-7 Homo sapiens >500000 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435984&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698798 175448301 CHEMBL2391854 ZINC96271866 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067741 COC[C@@H]1C[C@@H](CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)OC InChI=1S/C15H18N2O6S/c1-22-8-9-5-10(23-2)7-17(9)24(20,21)11-3-4-13-12(6-11)14(18)15(19)16-13/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,18,19)/t9-,10-/m0/s1 QPLAQLNMYMJMQA-UWVGGRQHSA-N 50435985 CHEMBL2391853 Caspase-7 Homo sapiens >500000 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435985&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698719 175448302 CHEMBL2391853 ZINC96271867 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067742 COC[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1)OC InChI=1S/C19H25FN2O6S/c1-27-12-13-9-14(28-2)11-22(13)29(25,26)15-5-6-17-16(10-15)18(23)19(24)21(17)8-4-3-7-20/h5-6,10,13-14H,3-4,7-9,11-12H2,1-2H3/t13-,14+/m0/s1 VYMYMLZCAIOYEX-UONOGXRCSA-N 50435986 CHEMBL2391852 Caspase-7 Homo sapiens 59600 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435986&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698799 175448303 CHEMBL2391852 ZINC96271868 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067743 CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1C[C@@H](C[C@H]1COC)OC InChI=1S/C19H26N2O6S/c1-4-5-8-20-17-7-6-15(10-16(17)18(22)19(20)23)28(24,25)21-11-14(27-3)9-13(21)12-26-2/h6-7,10,13-14H,4-5,8-9,11-12H2,1-3H3/t13-,14+/m0/s1 KPMJWBPFRVMQAJ-UONOGXRCSA-N 50435987 CHEMBL2391851 Caspase-7 Homo sapiens 26400 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435987&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698720 175448304 CHEMBL2391851 ZINC96271869 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51067744 COC[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)OC InChI=1S/C15H18N2O6S/c1-22-8-9-5-10(23-2)7-17(9)24(20,21)11-3-4-13-12(6-11)14(18)15(19)16-13/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,18,19)/t9-,10+/m0/s1 QPLAQLNMYMJMQA-VHSXEESVSA-N 50435988 CHEMBL2391850 Caspase-7 Homo sapiens >500000 ChEMBL 10.1016/j.ejmech.2013.04.011 10.7270/Q27W6DKM 23685941 Limpachayaporn, P; Riemann, B; Kopka, K; Schober, O; Schafers, M; Haufe, G Westf£lische Wilhelms-Universit£t M£nster http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435988&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 71698718 175448305 CHEMBL2391850 ZINC96271870 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606911 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O InChI=1S/C35H40ClN5O11S/c1-20(2)31(34(48)38-24(17-29(42)43)16-28(36)53(3,50)51)41-33(47)26(15-23-14-13-22-11-7-8-12-25(22)37-23)39-32(46)27(18-30(44)45)40-35(49)52-19-21-9-5-4-6-10-21/h4-14,16,20,24,26-27,31H,15,17-19H2,1-3H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b28-16+/t24-,26+,27+,31+/m1/s1 MFHQDLHNUMVDLA-COLSSZQCSA-N 160781 US10167313, Compound 48::US9045524, 48 Caspase-7 Homo sapiens 400 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160781&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44519987 295369548 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606921 COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(C)C)\C=C\S(C)(=O)=O InChI=1S/C36H46N4O11S/c1-22(2)31(34(44)37-27(19-29(41)49-3)15-16-52(5,47)48)39-35(45)32(26-17-24-13-9-10-14-25(24)18-26)40-33(43)28(20-30(42)50-4)38-36(46)51-21-23-11-7-6-8-12-23/h6-16,22,26-28,31-32H,17-21H2,1-5H3,(H,37,44)(H,38,46)(H,39,45)(H,40,43)/b16-15+/t27-,28+,31+,32+/m1/s1 IFAZRBKXOSUJTL-KXARQNLPSA-N 160784 US10167313, Compound 51::US9045524, 51 Caspase-7 Homo sapiens >3000 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160784&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44520368 295369550 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606926 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C31H38N4O11S/c1-19(2)26(29(41)32-22(16-24(36)37)14-15-47(3,44)45)34-30(42)27(21-12-8-5-9-13-21)35-28(40)23(17-25(38)39)33-31(43)46-18-20-10-6-4-7-11-20/h4-15,19,22-23,26-27H,16-18H2,1-3H3,(H,32,41)(H,33,43)(H,34,42)(H,35,40)(H,36,37)(H,38,39)/b15-14+/t22-,23+,26+,27+/m1/s1 ACPNTFIHYLLTHQ-QUKXJIHKSA-N 160786 US10167313, Compound 53::US9045524, 53 Caspase-7 Homo sapiens 800 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160786&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44520164 295369551 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606933 CC(C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C35H41N5O11S/c1-21(2)31(34(47)37-25(18-29(41)42)15-16-52(3,49)50)40-33(46)27(17-24-14-13-23-11-7-8-12-26(23)36-24)38-32(45)28(19-30(43)44)39-35(48)51-20-22-9-5-4-6-10-22/h4-16,21,25,27-28,31H,17-20H2,1-3H3,(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,42)(H,43,44)/b16-15+/t25-,27-,28+,31+/m1/s1 XDTNISVZIRJASF-JGKDXAGSSA-N 314073 US10167313, Compound 71::Z-Asp-(D,L Ala(2'-quinolyl))-Val- Aspmethyl vinylsulfone Caspase-7 Homo sapiens 8900 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314073&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 117803736 383540954 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606938 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C35H41N5O11S/c1-21(2)31(34(47)37-25(18-29(41)42)15-16-52(3,49)50)40-33(46)27(17-24-14-13-23-11-7-8-12-26(23)36-24)38-32(45)28(19-30(43)44)39-35(48)51-20-22-9-5-4-6-10-22/h4-16,21,25,27-28,31H,17-20H2,1-3H3,(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,42)(H,43,44)/b16-15+/t25-,27+,28+,31+/m1/s1 XDTNISVZIRJASF-WGPOSJAPSA-N 160788 US10167313, Compound 55::US9045524, 55 Caspase-7 Homo sapiens 1400 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160788&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44520165 295369552 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606943 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)Oc1ccccc1 InChI=1S/C40H43N5O12S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-58(54,55)57-30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32+,33+,36+/m1/s1 FZAVLWDWOZHIBJ-NQKMJEHBSA-N 160798 US10167313, Compound 65::US9045524, 65 Caspase-7 Homo sapiens 400 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160798&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88542580 295369557 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606947 CC(C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C40H43N5O11S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-57(54,55)30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32-,33+,36+/m1/s1 CPFXCSLAAJOPLW-IHJNOYNJSA-N 314076 US10167313, Compound 70::Z-Asp-(D,L Ala(2'-quinolyl))-Val- Aspphenyl vinylsulfone Caspase-7 Homo sapiens >10000 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314076&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 117804513 383540957 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606952 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C40H43N5O11S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-57(54,55)30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32+,33+,36+/m1/s1 CPFXCSLAAJOPLW-NQKMJEHBSA-N 160796 US10167313, Compound 63::US9045524, 63 Caspase-7 Homo sapiens 1800 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160796&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 67986027 295369556 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606958 CC(C)[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C36H41N5O11S/c1-23(2)32(35(48)38-26(20-30(42)43)16-18-53(50,51)27-14-7-4-8-15-27)41-34(47)28(19-25-13-9-10-17-37-25)39-33(46)29(21-31(44)45)40-36(49)52-22-24-11-5-3-6-12-24/h3-18,23,26,28-29,32H,19-22H2,1-2H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b18-16+/t26-,28+,29+,32+/m1/s1 XTKUMMDOZMHSCM-DYDABGNVSA-N 160816 US10167313, Compound 85::US9045524, 85 Caspase-7 Homo sapiens 1000 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160816&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 70218944 295369565 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606964 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C32H40N4O12S/c1-19(2)28(31(44)33-22(16-26(38)39)13-14-49(3,46)47)36-30(43)24(15-20-9-11-23(37)12-10-20)34-29(42)25(17-27(40)41)35-32(45)48-18-21-7-5-4-6-8-21/h4-14,19,22,24-25,28,37H,15-18H2,1-3H3,(H,33,44)(H,34,42)(H,35,45)(H,36,43)(H,38,39)(H,40,41)/b14-13+/t22-,24+,25+,28+/m1/s1 HIQKYBKHPZKDSE-LJKYIEEGSA-N 160808 US10167313, Compound 76::US9045524, 76 Caspase-7 Homo sapiens 700 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160808&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88542581 295369563 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606969 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C34H42N4O11S/c1-20(2)29(32(44)35-25(17-27(39)40)13-14-50(3,47)48)37-33(45)30(24-15-22-11-7-8-12-23(22)16-24)38-31(43)26(18-28(41)42)36-34(46)49-19-21-9-5-4-6-10-21/h4-14,20,24-26,29-30H,15-19H2,1-3H3,(H,35,44)(H,36,46)(H,37,45)(H,38,43)(H,39,40)(H,41,42)/b14-13+/t25-,26+,29+,30+/m1/s1 UPNDCXMMARFRPM-RNDACTHJSA-N 160790 US10167313, Compound 57::US9045524, 57 Caspase-7 Homo sapiens 200 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160790&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44473416 295369553 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606974 CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O 160819 US10167313, Compound 88::US9045524, 88 Caspase-7 Homo sapiens 1100 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160819&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44520167 295369566 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606979 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C28H38N4O13S/c1-16(2)24(27(41)29-18(13-22(35)36)11-12-46(3,43)44)32-25(39)19(9-10-21(33)34)30-26(40)20(14-23(37)38)31-28(42)45-15-17-7-5-4-6-8-17/h4-8,11-12,16,18-20,24H,9-10,13-15H2,1-3H3,(H,29,41)(H,30,40)(H,31,42)(H,32,39)(H,33,34)(H,35,36)(H,37,38)/b12-11+/t18-,19+,20+,24+/m1/s1 SXHHMPCBHMVLQW-UFEMVYOUSA-N 160792 US10167313, Compound 59::US9045524, 59 Caspase-7 Homo sapiens 40.0 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160792&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44520166 295369554 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606984 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C19H26N2O7S/c1-13(2)17(21-19(25)28-12-14-7-5-4-6-8-14)18(24)20-15(11-16(22)23)9-10-29(3,26)27/h4-10,13,15,17H,11-12H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/b10-9+/t15-,17+/m1/s1 CCVBKVXTZSDRHL-AMMZPXFLSA-N 160794 US10167313, Compound 61::US9045524, 61 Caspase-7 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160794&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 52948065 295369555 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606989 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)C(C)C InChI=1S/C36H46N4O11S/c1-21(2)31(34(46)37-27(18-29(41)42)14-15-52(49,50)22(3)4)39-35(47)32(26-16-24-12-8-9-13-25(24)17-26)40-33(45)28(19-30(43)44)38-36(48)51-20-23-10-6-5-7-11-23/h5-15,21-22,26-28,31-32H,16-20H2,1-4H3,(H,37,46)(H,38,48)(H,39,47)(H,40,45)(H,41,42)(H,43,44)/b15-14+/t27-,28+,31+,32+/m1/s1 XEWZRZSJGJZHSY-QVZFUARWSA-N 160801 US10167313, Compound 68::US9045524, 68 Caspase-7 Homo sapiens 1500 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160801&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88215480 295369559 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606994 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C36H42N4O10S/c1-23(2)32(35(46)37-24(3)33(44)38-27(21-31(42)43)18-19-51(48,49)29-12-8-5-9-13-29)40-34(45)30(20-25-14-16-28(41)17-15-25)39-36(47)50-22-26-10-6-4-7-11-26/h4-19,23-24,27,30,32,41H,20-22H2,1-3H3,(H,37,46)(H,38,44)(H,39,47)(H,40,45)(H,42,43)/b19-18+/t24-,27+,30-,32-/m0/s1 ZCONVUIWLFTKHH-WOIMJGHISA-N 160827 US10167313, Compound 96::US9045524, 96 Caspase-7 Homo sapiens >10000 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160827&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 70244590 295369568 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 606999 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C33H42N4O12S/c1-20(2)29(32(45)34-23(18-28(41)42)15-16-50(3,47)48)37-30(43)25(13-14-27(39)40)35-31(44)26(17-21-9-11-24(38)12-10-21)36-33(46)49-19-22-7-5-4-6-8-22/h4-12,15-16,20,23,25-26,29,38H,13-14,17-19H2,1-3H3,(H,34,45)(H,35,44)(H,36,46)(H,37,43)(H,39,40)(H,41,42)/b16-15+/t23-,25+,26+,29+/m1/s1 CEFXQYILQBZDCM-JNINCFPBSA-N 160813 US10167313, Compound 82::US9045524, 82 Caspase-7 Homo sapiens >5000 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160813&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 88216574 295369564 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 607006 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O InChI=1S/C35H40ClN5O11S/c1-20(2)31(34(48)38-24(17-29(42)43)16-28(36)53(3,50)51)41-33(47)26(15-23-14-13-22-11-7-8-12-25(22)37-23)39-32(46)27(18-30(44)45)40-35(49)52-19-21-9-5-4-6-10-21/h4-14,16,20,24,26-27,31H,15,17-19H2,1-3H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b28-16+/t24-,26+,27+,31+/m1/s1 MFHQDLHNUMVDLA-COLSSZQCSA-N 160781 US10167313, Compound 48::US9045524, 48 Caspase-7 Homo sapiens 400 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160781&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44519987 295369548 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 607007 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O InChI=1S/C35H40ClN5O11S/c1-20(2)31(34(48)38-24(17-29(42)43)16-28(36)53(3,50)51)41-33(47)26(15-23-14-13-22-11-7-8-12-25(22)37-23)39-32(46)27(18-30(44)45)40-35(49)52-19-21-9-5-4-6-10-21/h4-14,16,20,24,26-27,31H,15,17-19H2,1-3H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b28-16+/t24-,26+,27+,31+/m1/s1 MFHQDLHNUMVDLA-COLSSZQCSA-N 160781 US10167313, Compound 48::US9045524, 48 Caspase-7 Homo sapiens 1000 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160781&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 44519987 295369548 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51109753 CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O InChI=1S/C33H33N5O7/c1-18(2)37-17-26(29(41)38(32(37)44)33(12-13-33)31(43)36-25-16-27(39)45-30(25)42)35-28(40)24-11-10-22(14-19(24)3)34-23-9-8-20-6-4-5-7-21(20)15-23/h4-11,14-15,17-18,25,30,34,42H,12-13,16H2,1-3H3,(H,35,40)(H,36,43)/t25-,30?/m0/s1 BTGMTHBOODBMHN-SUHMBNCMSA-N 50453034 CHEMBL4211859 Caspase-7 Homo sapiens >9999 ChEMBL 10.1021/acs.jmedchem.8b00067 10.7270/Q2FR006X 29648825 Fournier, JF; Clary, L; Chambon, S; Dumais, L; Harris, CS; Millois, C; Pierre, R; Talano, S; Thoreau, É; Aubert, J; Aurelly, M; Bouix-Peter, C; Brethon, A; Chantalat, L; Christin, O; Comino, C; El-Bazbouz, G; Ghilini, AL; Isabet, T; Lardy, C; Luzy, AP; Mathieu, C; Mebrouk, K; Orfila, D; Pascau, J; Reverse, K; Roche, D; Rodeschini, V; Hennequin, LF Nestl� Skin Health R&D http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50453034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50453034&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 133081971 433921773 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51326995 FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 InChI=1S/C23H21FN2O3/c24-14-18(27)15-25-23(29)21(13-16-7-2-1-3-8-16)26-22(28)20-12-6-10-17-9-4-5-11-19(17)20/h1-12,21H,13-15H2,(H,25,29)(H,26,28)/t21-/m0/s1 VMVOHHPQIAPYHG-NRFANRHFSA-N 50536838 CHEMBL4520267 Caspase-7 Homo sapiens >100000 ChEMBL 10.1021/acsmedchemlett.6b00208 10.7270/Q2QF8XCR 27563406 Qiu, Z; Kuhn, B; Aebi, J; Lin, X; Ding, H; Zhou, Z; Xu, Z; Xu, D; Han, L; Liu, C; Qiu, H; Zhang, Y; Haap, W; Riemer, C; Stahl, M; Qin, N; Shen, HC; Tang, G Roche Pharma Research and Early Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50536838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50536838&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 127020966 440827662 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51327036 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1 ASXVEBPEZMSPHB-YJBOKZPZSA-N 50536839 CHEMBL2402203::acs.jmedchem.1c00409_ST.724 Caspase-7 Homo sapiens >100000 ChEMBL 10.1021/acsmedchemlett.6b00208 10.7270/Q2QF8XCR 27563406 Qiu, Z; Kuhn, B; Aebi, J; Lin, X; Ding, H; Zhou, Z; Xu, Z; Xu, D; Han, L; Liu, C; Qiu, H; Zhang, Y; Haap, W; Riemer, C; Stahl, M; Qin, N; Shen, HC; Tang, G Roche Pharma Research and Early Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50536839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50536839&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 5311161 440827663 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51327070 FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1 YGHHDWRITNGHCH-KRWDZBQOSA-N 50536834 CHEMBL4590201 Caspase-7 Homo sapiens >100000 ChEMBL 10.1021/acsmedchemlett.6b00208 10.7270/Q2QF8XCR 27563406 Qiu, Z; Kuhn, B; Aebi, J; Lin, X; Ding, H; Zhou, Z; Xu, Z; Xu, D; Han, L; Liu, C; Qiu, H; Zhang, Y; Haap, W; Riemer, C; Stahl, M; Qin, N; Shen, HC; Tang, G Roche Pharma Research and Early Development http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50536834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50536834&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 155567829 440827658 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51513411 CCCCCCN(C)CC(=O)C(CC(O)=O)NC(=O)[C@H](CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)/t19?,21-/m0/s1 XIMITGPWYYFUQF-QWAKEFERSA-N 50609116 CHEMBL5280661 Caspase-7 Homo sapiens 42 ChEMBL 10.7270/Q2280CT9 33569941 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50609116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50609116&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 9851135 494498864 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0 51513412 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1 UMBVAPCONCILTL-MRHIQRDNSA-N 10246 (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid::Ac-DEVD-CHO::CHEMBL417149 Caspase-7 Homo sapiens 87 ChEMBL 10.7270/Q2280CT9 33569941 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=118&target=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10246&enzyme=Caspase-7&column=ki&startPg=0&Increment=50&submit=Search 3H1P 644345 46510875 59385 CHEMBL417149 6527 ZINC03928290 1 MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ 1I4O,1I51,1K86,2QL5,2QL7,2QL9,2QLB,2QLF,2QLJ,3EDR,3H1P,3IBC,3IBF,4FDL,4FEA,4JB8,4JJ8,4LSZ,4ZVO,4ZVP,4ZVQ,4ZVR,4ZVS,4ZVT,4ZVU,5IC6,5K20,5V6U,5V6Z,6CL1,6CL2,6X8J,6X8L,8DGZ,8DJ3 Caspase-7 CASP7_HUMAN P55210 B4DQU7 B5BU45 D3DRB8 Q13364 Q53YD5 Q5SVL0 Q5SVL3 Q96BA0