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 51058047 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71583194 164160391 CHEMBL2348861 ZINC95605264 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058048 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71583193 164160392 CHEMBL2348860 ZINC95601932 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058049 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71583192 164160393 CHEMBL2348859 ZINC95605331 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058050 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71583084 164160379 CHEMBL2348702 ZINC95604181 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058051 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71583083 164160380 CHEMBL2348701 ZINC95605226 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058052 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71583082 164160381 CHEMBL2348700 ZINC95604471 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058053 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71583081 164160382 CHEMBL2348699 ZINC95603828 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058054 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-6 Homo sapiens 2610 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71583080 164160383 CHEMBL2348698 ZINC95604446 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058055 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71583079 164160384 CHEMBL2348697 ZINC95601417 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058056 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71583078 164160385 CHEMBL2348696 ZINC95601230 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058057 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71582975 164160386 CHEMBL2348695 ZINC95604707 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058058 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71582974 164160387 CHEMBL2348694 ZINC95602186 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058059 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-6 Homo sapiens 1030 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71582973 164160388 CHEMBL2348693 ZINC95605898 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058060 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71582972 164160389 CHEMBL2348692 ZINC95602232 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51058061 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71582971 164160390 CHEMBL2348691 ZINC95601912 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 267 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-6 Homo sapiens 1000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 5327302 8030145 ZINC13491992 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 268 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-6 Homo sapiens 1400 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 5327304 8030146 ZINC13491971 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 269 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-6 Homo sapiens 22000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 5327301 8030144 ZINC14942804 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 270 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-6 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=222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 5327305 8030147 ZINC14942805 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 271 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-6 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=223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 10963183 8030148 ZINC27558682 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 272 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-6 Homo sapiens 2300 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 5327307 8030149 ZINC27555410 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 273 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-6 Homo sapiens 540 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 5327308 8030150 ZINC13491987 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 274 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-6 Homo sapiens 9700 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 5327309 8030151 ZINC27557896 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 275 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-6 Homo sapiens 2400 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 5327310 8030152 ZINC27553709 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17032 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-6 Homo sapiens 474 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search RXA 3DEH 10640 46509315 ZINC01599708 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17033 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-6 Homo sapiens 216 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search RXB 3DEI 11632008 46510892 ZINC13683220 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17034 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-6 Homo sapiens 283 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11543714 46510906 ZINC13683257 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17035 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-6 Homo sapiens 201 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11572844 46510908 ZINC13683263 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17036 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-6 Homo sapiens 124 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11639020 46510912 ZINC13683277 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17037 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-6 Homo sapiens 137 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11646889 46510915 ZINC13683289 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17038 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-6 Homo sapiens 2850 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11652994 46510923 C06058 ZINC13683182 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17107 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-6 Homo sapiens 1700 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 515950 46509316 C06058 ZINC04141329 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17108 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-6 Homo sapiens 1000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 10826725 46510925 C06058 ZINC13863068 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17109 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-6 Homo sapiens >25000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9840223 46510932 CHEMBL60190 ZINC03871900 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17110 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-6 Homo sapiens >50000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 4117381 46510936 ZINC02944777 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17111 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-6 Homo sapiens 7500 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9800285 46510942 ZINC03921763 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17112 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-6 Homo sapiens 57000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9864930 46510943 ZINC01996395 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17113 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-6 Homo sapiens 29000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9821545 46510945 CHEMBL62993 ZINC13676453 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17114 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9847835 46510950 CHEMBL439753 6515 ZINC03940612 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17226 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9821545 46510945 CHEMBL62993 ZINC13676453 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17227 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search MSI 1GFW 5288850 46510947 CHEMBL293034 DB08213 ZINC03870526 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17228 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9847835 46510950 CHEMBL439753 6515 ZINC03940612 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17229 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9914167 46510954 CHEMBL200677 ZINC13676455 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17230 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11576852 46510955 CHEMBL372607 ZINC13676458 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17231 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11519268 46510956 ZINC13676460 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17232 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11512139 46510957 ZINC14947177 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17233 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11712912 46510958 CHEMBL200927 ZINC13676462 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17234 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11533326 46510959 ZINC13676465 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17235 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11584106 46510960 ZINC13676467 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17236 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11634649 46510961 ZINC13676470 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17237 CCC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C22H36N4O9/c1-6-12(4)19(22(35)24-14(10-27)9-17(31)32)26-20(33)15(7-8-16(29)30)25-21(34)18(11(2)3)23-13(5)28/h10-12,14-15,18-19H,6-9H2,1-5H3,(H,23,28)(H,24,35)(H,25,34)(H,26,33)(H,29,30)(H,31,32)/t12?,14-,15-,18-,19-/m0/s1 KYUFGGNCJRWMDN-XYJYKQBFSA-N 10356 (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-4-[(2S)-2-acetamido-3-methylbutanamido]butanoic acid::Ac-VEID-CHO Caspase-6 Homo sapiens 60.5 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=10356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10356&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 23645144 46510979 ZINC14947179 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17238 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11624920 46510962 ZINC13676473 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17239 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11509289 46510963 ZINC13676475 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17240 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11496333 46510964 ZINC13676477 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17241 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11684618 46510965 ZINC13676479 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17242 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11497112 46510966 ZINC13676481 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17243 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11583840 46510967 ZINC13676483 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17244 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11634372 46510968 ZINC13676486 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17245 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11619968 46510969 ZINC13676488 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17246 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11576622 46510970 ZINC13676490 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17247 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11525874 46510971 ZINC13676492 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17248 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11509300 46510972 ZINC13676494 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17249 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11647018 46510973 ZINC13676496 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17250 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11576540 46510974 ZINC13676498 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17251 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11591540 46510975 ZINC13676501 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17252 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11670894 46510976 ZINC13676504 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17253 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11705942 46510977 ZINC13676506 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 17254 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11509301 46509317 ZINC13676509 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53907 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-6 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 8027611 81054998 ZINC06658375 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53908 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-6 Homo sapiens >15000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618276 81054999 ZINC40937554 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53909 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-6 Homo sapiens 12833 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618277 81055000 ZINC40414015 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53910 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-6 Homo sapiens 325 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618278 81055001 ZINC40943700 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53911 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-6 Homo sapiens 545 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618279 81055002 ZINC40423003 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53912 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-6 Homo sapiens 568 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618280 81055003 ZINC45506622 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53913 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-6 Homo sapiens 425 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618281 81055004 ZINC40422396 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53914 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-6 Homo sapiens 453 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618282 81055005 ZINC45506625 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53915 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-6 Homo sapiens 591.7 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618283 81055006 ZINC40949408 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53916 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-6 Homo sapiens 151 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618284 81055007 ZINC40423296 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53917 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-6 Homo sapiens 188 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618285 81055008 ZINC40423157 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53918 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-6 Homo sapiens 230 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618286 81055009 ZINC49878620 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53919 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-6 Homo sapiens 9833 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618287 81055010 ZINC40918265 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53920 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-6 Homo sapiens 156 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618288 81055011 ZINC40405035 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53921 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-6 Homo sapiens 197 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618289 81055012 ZINC40918266 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53922 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-6 Homo sapiens 280 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618290 81055013 ZINC40835217 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53923 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-6 Homo sapiens 241 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618291 81055014 ZINC40916039 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53924 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-6 Homo sapiens 358 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618292 81055015 ZINC40916403 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53925 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-6 Homo sapiens 468 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 42618293 81055016 ZINC40918089 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53926 CCC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C22H36N4O9/c1-6-12(4)19(22(35)24-14(10-27)9-17(31)32)26-20(33)15(7-8-16(29)30)25-21(34)18(11(2)3)23-13(5)28/h10-12,14-15,18-19H,6-9H2,1-5H3,(H,23,28)(H,24,35)(H,25,34)(H,26,33)(H,29,30)(H,31,32)/t12?,14-,15-,18-,19-/m0/s1 KYUFGGNCJRWMDN-XYJYKQBFSA-N 10356 (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-4-[(2S)-2-acetamido-3-methylbutanamido]butanoic acid::Ac-VEID-CHO Caspase-6 Homo sapiens 8 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=10356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10356&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 23645144 46510979 ZINC14947179 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53927 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-6 Homo sapiens >5000 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=10323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9847835 46510950 CHEMBL439753 6515 ZINC03940612 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 53928 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-6 Homo sapiens 918 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=29588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749269 81055017 CHEMBL226779 ZINC36093011 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 304015 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-6 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=160786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44520164 295369551 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 304025 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-6 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 88216880 295369570 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 304035 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-6 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=160849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 88542593 295369571 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50017849 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-6 Homo sapiens 18560 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331943 104012450 CHEMBL100405 ZINC13819044 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215553 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-6 Homo sapiens 18560 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331943 104012450 CHEMBL100405 ZINC13819044 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215554 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-6 Homo sapiens 1620 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331577 104012451 CHEMBL101728 ZINC13819140 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215566 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-6 Homo sapiens 13800 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332109 104012452 CHEMBL317782 ZINC13819095 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215572 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-6 Homo sapiens 32500 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331987 104012468 CHEMBL418983 ZINC13819271 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215581 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-6 Homo sapiens 21400 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331565 104012470 CHEMBL100409 ZINC13819162 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215583 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-6 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=50119230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331566 104012477 CHEMBL420458 ZINC13819156 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215591 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-6 Homo sapiens 1280 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332024 104012479 CHEMBL103592 ZINC13819085 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215594 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-6 Homo sapiens 3160 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332129 104012466 CHEMBL329940 ZINC13819105 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215597 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-6 Homo sapiens 28600 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331739 104012460 CHEMBL321546 ZINC13819279 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215598 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-6 Homo sapiens >50000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332029 104012472 CHEMBL100578 ZINC13819167 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215608 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-6 Homo sapiens 10100 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331579 104012483 CHEMBL102005 ZINC13819225 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215636 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-6 Homo sapiens 22600 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331567 104012461 CHEMBL100114 ZINC13819151 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215642 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-6 Homo sapiens >50000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332121 104012462 CHEMBL318295 ZINC13819178 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215647 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-6 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=50119211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331964 104012458 CHEMBL100933 ZINC26744040 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215653 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-6 Homo sapiens 717 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331675 104012456 CHEMBL99681 ZINC13819208 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215655 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-6 Homo sapiens 10300 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332331 104012495 CHEMBL317796 ZINC26752319 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215662 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-6 Homo sapiens 305 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332330 104012485 CHEMBL102901 ZINC13819126 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215665 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-6 Homo sapiens 20500 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331580 104012453 CHEMBL101442 ZINC13819220 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215673 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-6 Homo sapiens 14500 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331674 104012482 CHEMBL99680 ZINC13819214 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215674 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-6 Homo sapiens 5900 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332093 104012484 CHEMBL100802 ZINC13819131 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215676 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-6 Homo sapiens 3370 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331815 104012473 CHEMBL321074 ZINC13819254 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215677 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-6 Homo sapiens 11800 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332332 104012487 CHEMBL318887 ZINC26752716 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215680 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-6 Homo sapiens 14030 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331963 104012488 CHEMBL319251 ZINC26744030 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215684 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-6 Homo sapiens 33400 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331816 104012499 CHEMBL100788 ZINC13819248 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215693 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-6 Homo sapiens 5860.0 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=50119222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332058 104012469 CHEMBL319554 ZINC13819265 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215697 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-6 Homo sapiens 4180 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332004 104012496 CHEMBL101448 ZINC13819073 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215701 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-6 Homo sapiens 5050 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332051 104012497 CHEMBL101644 ZINC26746073 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215703 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-6 Homo sapiens >50000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332028 104012498 CHEMBL100927 ZINC13819173 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215708 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-6 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331908 104012493 CHEMBL433416 ZINC13819050 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215710 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-6 Homo sapiens 18900 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331578 104012474 CHEMBL322183 ZINC13819231 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215713 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-6 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331879 104012490 CHEMBL101220 ZINC13819058 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215716 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-6 Homo sapiens 21200 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332068 104012455 CHEMBL102154 ZINC13819236 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215725 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-6 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=50119239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331552 104012486 CHEMBL103820 ZINC13819146 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215734 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-6 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331942 104012492 CHEMBL328412 C02847 ZINC26749168 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215738 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-6 Homo sapiens 51200.0 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=50119224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332078 104012471 CHEMBL99999 ZINC13819260 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215740 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-6 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331944 104012489 CHEMBL100801 ZINC13819054 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215742 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-6 Homo sapiens 11110 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331876 104012478 CHEMBL101108 ZINC13819064 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215747 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-6 Homo sapiens 2720 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332026 104012500 CHEMBL316465 ZINC13819135 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215757 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-6 Homo sapiens 42700 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332120 104012491 CHEMBL101684 ZINC13819183 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215765 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-6 Homo sapiens >50000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331966 104012476 CHEMBL317530 ZINC13819193 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215766 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-6 Homo sapiens 9750 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332050 104012467 CHEMBL101141 ZINC13819242 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215767 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-6 Homo sapiens 940.0 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=50119234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 10001828 104012481 CHEMBL318386 ZINC13819069 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215773 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-6 Homo sapiens >50000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331693 104012464 CHEMBL101714 ZINC13819198 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215775 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-6 Homo sapiens 2530 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331830 104012480 CHEMBL101835 ZINC13819030 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215793 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-6 Homo sapiens >50000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331676 104012454 CHEMBL100741 ZINC13819203 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215799 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-6 Homo sapiens 14500 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332128 104012457 CHEMBL100769 ZINC13819110 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215800 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-6 Homo sapiens 1430 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332108 104012475 CHEMBL318312 ZINC13819100 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215801 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-6 Homo sapiens 11800 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331740 104012494 CHEMBL318035 ZINC13819275 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215802 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-6 Homo sapiens 12500 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331967 104012463 CHEMBL101341 ZINC13819189 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215806 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-6 Homo sapiens 14030 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331963 104012488 CHEMBL319251 ZINC26744030 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215809 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-6 Homo sapiens 7000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332118 104012505 CHEMBL323322 ZINC26746282 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215826 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-6 Homo sapiens 940.0 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=50119234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 10001828 104012481 CHEMBL318386 ZINC13819069 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215829 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-6 Homo sapiens 1900 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332113 104012504 CHEMBL328155 ZINC26747962 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215837 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-6 Homo sapiens >10000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331980 104012512 CHEMBL323570 ZINC26748285 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215842 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-6 Homo sapiens 10000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331964 104012458 CHEMBL100933 ZINC26744040 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215843 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-6 Homo sapiens 308 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331965 104012506 CHEMBL101182 ZINC26751109 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215845 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-6 Homo sapiens 15 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331915 104012511 CHEMBL100643 ZINC26748118 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215855 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-6 Homo sapiens 1010 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332005 104012507 CHEMBL100559 ZINC26748141 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215861 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-6 Homo sapiens 1430 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332136 104012513 CHEMBL101145 ZINC26745356 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215866 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-6 Homo sapiens 37 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332311 104012509 CHEMBL322631 ZINC26816891 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215867 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-6 Homo sapiens 589 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331953 104012502 CHEMBL101622 ZINC36092926 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215870 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-6 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331898 103965737 CHEMBL430648 ZINC40460464 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215872 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-6 Homo sapiens 3610 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331977 104012503 CHEMBL327298 ZINC26749695 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215877 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-6 Homo sapiens 3030 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332112 104012510 CHEMBL100591 ZINC26747952 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215878 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-6 Homo sapiens 18560 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331943 104012450 CHEMBL100405 ZINC13819044 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215881 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-6 Homo sapiens 4600 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331957 104012501 CHEMBL317246 ZINC26747365 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215882 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-6 Homo sapiens 3.5 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44331914 104012514 CHEMBL101545 ZINC26747638 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50215893 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-6 Homo sapiens 310 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44332119 104012508 CHEMBL102046 ZINC36092924 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50246158 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-6 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=10305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9840223 46510932 CHEMBL60190 ZINC03871900 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50246160 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-6 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=50031594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 118723314 313066087 CHEMBL3359186 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50246161 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-6 Homo sapiens 28500 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 118723315 313066088 CHEMBL3359187 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50246162 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-6 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=50031596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 118723316 313066089 CHEMBL3359188 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50246165 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-6 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=50031597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 118723317 313066090 CHEMBL3359189 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50246168 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-6 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=50031605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 118723325 313066098 CHEMBL3359197 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50246169 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-6 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 118723326 313066099 CHEMBL3359198 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50246170 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-6 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=50031607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 118723327 313066100 CHEMBL3359199 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50246171 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-6 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=50031608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 118723328 313066101 CHEMBL3359200 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50246173 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-6 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=50031609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 118723329 313066102 CHEMBL3359201 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50246174 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-6 Homo sapiens 78900 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 118723330 313066103 CHEMBL3359202 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50246175 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-6 Homo sapiens 12900 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 118723331 313066104 CHEMBL3359203 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50267424 CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C22H27N3O5/c1-14(2)10-19(22(30)24-16(13-26)11-21(28)29)25-20(27)12-23-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,13-14,16,19,23H,10-12H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)/t16-,19-/m0/s1 UUXBTSRITCUIRR-LPHOPBHVSA-N 50145622 (S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-ylamino)-acetylamino]-pentanoylamino}-4-oxo-butyric acid::CHEMBL90224 Caspase-6 Homo sapiens 37 ChEMBL 10.1016/j.bmcl.2003.12.106 10.7270/Q2BP027K 15109679 Linton, SD; Aja, T; Allegrini, PR; Deckwerth, TL; Diaz, JL; Hengerer, B; Herrmann, J; Jahangiri, KG; Kallen, J; Karanewsky, DS; Meduna, SP; Nalley, K; Robinson, ED; Roggo, S; Rovelli, G; Sauter, A; Sayers, RO; Schmitz, A; Smidt, R; Ternansky, RJ; Tomaselli, KJ; Ullman, BR; Wiessner, C; Wu, JC Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145622&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 9823027 104034367 CHEMBL90224 ZINC03963763 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50267434 CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C22H25N3O6/c1-13(2)10-18(20(29)23-15(12-26)11-19(27)28)25-22(31)21(30)24-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,27,28)/t15-,18-/m0/s1 CUDGJBLALZRKFR-YJBOKZPZSA-N 50145661 (S)-3-{(S)-4-Methyl-2-[(naphthalen-1-ylaminooxalyl)-amino]-pentanoylamino}-4-oxo-butyric acid::CHEMBL90307 Caspase-6 Homo sapiens 1500 ChEMBL 10.1016/j.bmcl.2003.12.106 10.7270/Q2BP027K 15109679 Linton, SD; Aja, T; Allegrini, PR; Deckwerth, TL; Diaz, JL; Hengerer, B; Herrmann, J; Jahangiri, KG; Kallen, J; Karanewsky, DS; Meduna, SP; Nalley, K; Robinson, ED; Roggo, S; Rovelli, G; Sauter, A; Sayers, RO; Schmitz, A; Smidt, R; Ternansky, RJ; Tomaselli, KJ; Ullman, BR; Wiessner, C; Wu, JC Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145661&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 9867192 104034368 CHEMBL90307 ZINC03982753 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50267435 CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C22H26N2O6/c1-14(2)10-18(22(29)23-16(12-25)11-21(27)28)24-20(26)13-30-19-9-5-7-15-6-3-4-8-17(15)19/h3-9,12,14,16,18H,10-11,13H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t16-,18-/m0/s1 GCIXFQFILPSHQY-WMZOPIPTSA-N 50145670 (S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-yloxy)-acetylamino]-pentanoylamino}-4-oxo-butyric acid::CHEMBL330535 Caspase-6 Homo sapiens 940.0 ChEMBL 10.1016/j.bmcl.2003.12.106 10.7270/Q2BP027K 15109679 Linton, SD; Aja, T; Allegrini, PR; Deckwerth, TL; Diaz, JL; Hengerer, B; Herrmann, J; Jahangiri, KG; Kallen, J; Karanewsky, DS; Meduna, SP; Nalley, K; Robinson, ED; Roggo, S; Rovelli, G; Sauter, A; Sayers, RO; Schmitz, A; Smidt, R; Ternansky, RJ; Tomaselli, KJ; Ullman, BR; Wiessner, C; Wu, JC Idun Pharmaceuticals, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145670&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 9823074 104034369 CHEMBL330535 ZINC26646187 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50297235 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-6 Homo sapiens 50 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11257152 104047758 CHEMBL180263 ZINC13918514 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50295766 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-6 Homo sapiens 3.4 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=50160957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 91933270 104047395 CHEMBL179503 ZINC14164654 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50295796 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-6 Homo sapiens 1.7 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=50160974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 91933271 104047412 CHEMBL366927 ZINC28136084 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50356350 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-6 Homo sapiens 3700 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11533935 104075585 CHEMBL213759 ZINC37866131 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367653 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11541867 104080682 CHEMBL216071 ZINC37866133 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367658 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11533935 104075585 CHEMBL213759 ZINC37866131 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367659 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11712912 46510958 CHEMBL200927 ZINC13676462 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367675 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9914167 46510954 CHEMBL200677 ZINC13676455 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367677 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-6 Homo sapiens >25000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11598106 104080679 CHEMBL215480 ZINC35328289 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367680 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11591919 104080681 CHEMBL216447 ZINC37866135 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367693 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11664423 104080684 CHEMBL217821 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367697 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11515586 104080672 CHEMBL216819 ZINC37866140 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367702 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11699954 104080685 CHEMBL385930 ZINC37866134 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367716 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11510566 104080673 CHEMBL217777 ZINC37866138 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50368530 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-6 Homo sapiens 550000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44418960 104080935 CHEMBL221870 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367603 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11614728 104080674 CHEMBL386464 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367604 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9821545 46510945 CHEMBL62993 ZINC13676453 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367606 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11444079 104080676 CHEMBL217457 ZINC37866137 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367611 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9840223 46510932 CHEMBL60190 ZINC03871900 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367621 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11548424 104080678 CHEMBL387041 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367626 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11628992 104080680 CHEMBL386510 ZINC37866132 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367629 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search MSI 1GFW 5288850 46510947 CHEMBL293034 DB08213 ZINC03870526 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367630 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11700402 104080683 CHEMBL217822 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367645 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44417479 104080677 CHEMBL217220 ZINC37866139 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50367649 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11548909 104080675 CHEMBL384023 ZINC37866136 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391417 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-6 Homo sapiens 5025 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749268 104090774 CHEMBL227036 ZINC28702255 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391428 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-6 Homo sapiens 9550 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749068 104090779 CHEMBL227035 ZINC28702252 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391432 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-6 Homo sapiens 823 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749162 104090773 CHEMBL226828 ZINC36093014 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391437 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-6 Homo sapiens 3700 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11533935 104075585 CHEMBL213759 ZINC37866131 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391440 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-6 Homo sapiens 840 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749270 104090782 CHEMBL436989 ZINC36093013 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391442 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-6 Homo sapiens 610 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749164 104090777 CHEMBL427284 ZINC36093017 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391446 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-6 Homo sapiens 650 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749163 104090775 CHEMBL226881 ZINC36093015 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391447 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-6 Homo sapiens 918 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749269 81055017 CHEMBL226779 ZINC36093011 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391448 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-6 Homo sapiens 407 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749067 104090781 CHEMBL376760 ZINC36093009 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391467 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-6 Homo sapiens 744 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749161 104090780 CHEMBL427283 ZINC36093012 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391468 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-6 Homo sapiens 515 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749271 104090776 CHEMBL387556 ZINC36093016 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391471 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-6 Homo sapiens 8900 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749267 104090772 CHEMBL376112 ZINC28702250 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50391474 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-6 Homo sapiens 698 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 16749069 104090778 CHEMBL390932 ZINC36093010 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50406668 Oc1cc(F)ccc1CNc1ncccc1-c1ncccn1 InChI=1S/C16H13FN4O/c17-12-5-4-11(14(22)9-12)10-21-16-13(3-1-6-18-16)15-19-7-2-8-20-15/h1-9,22H,10H2,(H,18,21) YTVDOVJPKJLMHL-UHFFFAOYSA-N 50117678 CHEMBL3613794 Caspase-6 Homo sapiens 470 ChEMBL 10.1021/acs.jmedchem.5b00975 10.7270/Q25H7J2H 26288158 Pollock, J; Borkin, D; Lund, G; Purohit, T; Dyguda-Kazimierowicz, E; Grembecka, J; Cierpicki, T University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117678&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 2J6 4NBL 44319963 85431378 CHEMBL3613794 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50406669 Oc1ccccc1CNc1ncccc1-c1ncccn1 InChI=1S/C16H14N4O/c21-14-7-2-1-5-12(14)11-20-16-13(6-3-8-17-16)15-18-9-4-10-19-15/h1-10,21H,11H2,(H,17,20) MMKQRQTVUOSSBU-UHFFFAOYSA-N 50117679 CHEMBL3613793 Caspase-6 Homo sapiens 2900 ChEMBL 10.1021/acs.jmedchem.5b00975 10.7270/Q25H7J2H 26288158 Pollock, J; Borkin, D; Lund, G; Purohit, T; Dyguda-Kazimierowicz, E; Grembecka, J; Cierpicki, T University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117679&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 44320247 85432027 CHEMBL3613793 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50401550 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-6 Homo sapiens 61 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44434249 104095261 CHEMBL237310 ZINC28825333 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442136 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9847835 46510950 CHEMBL439753 6515 ZINC03940612 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442151 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25179145 104117488 CHEMBL518382 ZINC42876804 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442152 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25179141 104117487 CHEMBL456799 ZINC44352670 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442153 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25179144 104117486 CHEMBL456798 ZINC40846581 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442154 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25179140 104117935 CHEMBL515661 ZINC40379780 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442155 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25179514 104117934 CHEMBL515506 ZINC40848677 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442156 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25178950 104117933 CHEMBL456593 ZINC40848675 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442157 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25178949 104117932 CHEMBL456592 ZINC44352448 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442158 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25179513 104117892 CHEMBL516941 ZINC42877136 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442159 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25178948 104117891 CHEMBL461249 ZINC40394170 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442160 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25179324 104117890 CHEMBL516490 ZINC40864521 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442161 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25179143 104117889 CHEMBL461248 ZINC40864519 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442162 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11576852 46510955 CHEMBL372607 ZINC13676458 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50442163 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-6 Homo sapiens >5000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 11548909 104080675 CHEMBL384023 ZINC37866136 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460248 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44158238 104109291 CHEMBL512101 ZINC40874506 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460252 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44158240 104109292 CHEMBL468088 ZINC40874508 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460256 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44158242 104109293 CHEMBL513513 ZINC40394679 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460260 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44158325 104109313 CHEMBL513663 ZINC40874969 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460264 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44158086 104109314 CHEMBL467251 ZINC44416794 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460268 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44158326 104109315 CHEMBL467252 ZINC40874971 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460272 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44158328 104109316 CHEMBL513297 ZINC40876977 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460276 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44158089 104109056 CHEMBL524017 ZINC40429356 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460280 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44157085 104109057 CHEMBL493374 ZINC40954804 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460284 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44157086 104109058 CHEMBL493375 ZINC40954808 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460288 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44157087 104109079 CHEMBL521984 ZINC40423755 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460292 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44157089 104109080 CHEMBL523666 ZINC42890142 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460296 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44158154 104109081 CHEMBL492385 ZINC45505919 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460300 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44157090 104109082 CHEMBL494220 ZINC40953868 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460304 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44158155 104109317 CHEMBL466422 ZINC40876123 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460308 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44158157 104109318 CHEMBL511723 ZINC40395133 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460312 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44158237 104109319 CHEMBL466423 ZINC40876131 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460316 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9840223 46510932 CHEMBL60190 ZINC03871900 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460320 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9821545 46510945 CHEMBL62993 ZINC13676453 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50460324 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-6 Homo sapiens >500000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search MSI 1GFW 5288850 46510947 CHEMBL293034 DB08213 ZINC03870526 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631282 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-6 Homo sapiens 4930 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25217145 131343462 CHEMBL1762346 ZINC59112422 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631283 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-6 Homo sapiens >10000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 54580470 131343463 CHEMBL1762347 ZINC71329572 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631284 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-6 Homo sapiens 2987 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 54586343 131343464 CHEMBL1762348 ZINC71329600 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631285 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-6 Homo sapiens 8700 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 52918163 131343465 CHEMBL1762349 ZINC71316755 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631286 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-6 Homo sapiens 9200 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 54587376 131343466 CHEMBL1762350 ZINC71318989 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631287 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-6 Homo sapiens >10000 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 54581481 131343467 CHEMBL1762351 ZINC71318148 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631288 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-6 Homo sapiens 7666 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 54582484 131343468 CHEMBL1762352 ZINC71329940 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631289 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-6 Homo sapiens 6900 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 52918177 131343469 CHEMBL1762353 ZINC71318625 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631290 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-6 Homo sapiens 747 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 54583923 131343470 CHEMBL1762354 ZINC71329676 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631291 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-6 Homo sapiens 1012 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 54585834 131343471 CHEMBL1762355 ZINC71316369 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631292 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-6 Homo sapiens 509 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25217031 131343472 CHEMBL1762356 ZINC59112237 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631293 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-6 Homo sapiens 450 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25217029 131343473 CHEMBL1762357 ZINC59112235 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631294 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-6 Homo sapiens 927 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25217032 131343474 CHEMBL1762358 ZINC59111999 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631295 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-6 Homo sapiens 1165 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 54581987 131343475 CHEMBL1762359 ZINC72129914 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631296 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-6 Homo sapiens 770 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25217030 131343476 CHEMBL1762360 ZINC59112236 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631297 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-6 Homo sapiens 6950 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 54584867 131343477 CHEMBL1762361 ZINC71296945 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631298 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-6 Homo sapiens 7750 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 52918179 131343478 CHEMBL1762362 ZINC71318920 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631299 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-6 Homo sapiens 9967 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25179144 104117486 CHEMBL456798 ZINC40846581 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631300 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-6 Homo sapiens 13450 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 52918178 131343479 CHEMBL1762363 ZINC71330531 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631301 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-6 Homo sapiens 3475 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 54583924 131343480 CHEMBL1762364 ZINC71329215 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631302 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-6 Homo sapiens 9125 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 54582924 131343481 CHEMBL1762365 ZINC71296454 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631303 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-6 Homo sapiens 4700 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 54583925 131343482 CHEMBL1762366 ZINC71316002 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631304 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-6 Homo sapiens 4425 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 25179141 104117487 CHEMBL456799 ZINC44352670 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50631380 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C=O InChI=1S/C22H36N4O9/c1-6-12(4)19(22(35)24-14(10-27)9-17(31)32)26-20(33)15(7-8-16(29)30)25-21(34)18(11(2)3)23-13(5)28/h10-12,14-15,18-19H,6-9H2,1-5H3,(H,23,28)(H,24,35)(H,25,34)(H,26,33)(H,29,30)(H,31,32)/t12-,14-,15-,18-,19-/m0/s1 KYUFGGNCJRWMDN-GOYXDOSHSA-N 50340548 (4S,7S,10S,13S)-10-sec-butyl-7-(2-carboxyethyl)-13-formyl-4-isopropyl-2,5,8,11-tetraoxo-3,6,9,12-tetraazapentadecan-15-oic acid::Ac-VEID-CHO::CHEMBL478081 Caspase-6 Homo sapiens 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=50340548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340548&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 15487887 131343484 CHEMBL478081 ZINC14947179 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50742164 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-6 Homo sapiens 18 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 9821317 104030122 CHEMBL23226 ZINC11686663 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 50905136 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-6 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 44255320 104156468 CHEMBL567893 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51045106 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-6 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=50426563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71716242 164155438 CHEMBL2323967 ZINC95583147 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51045107 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-6 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=50426564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71720507 164155439 CHEMBL2323966 ZINC95583085 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51045134 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-6 Homo sapiens 600 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71719897 164155437 CHEMBL2324339 ZINC95581513 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51045149 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-6 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=50426566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71471109 164155441 CHEMBL2324341 ZINC95584156 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51045152 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-6 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=50426565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 71718085 164155440 CHEMBL2324340 ZINC95581891 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51013599 Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 InChI=1S/C15H15ClN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22) QNUYHZAYXDMWMT-UHFFFAOYSA-N 50303410 4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5-triazine-2-carbonitrile::CHEMBL567785 Caspase-6 Homo sapiens 5128.61 ChEMBL 10.1021/jm901069a 10.7270/Q2TX3FG5 19908842 Mott, BT; Ferreira, RS; Simeonov, A; Jadhav, A; Ang, KK; Leister, W; Shen, M; Silveira, JT; Doyle, PS; Arkin, MR; McKerrow, JH; Inglese, J; Austin, CP; Thomas, CJ; Shoichet, BK; Maloney, DJ National Human Genome Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303410&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 44459967 104157771 CHEMBL567785 ZINC13831513 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51013600 Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23) YKFSGPSMOHAYEG-UHFFFAOYSA-N 50303417 4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1,3,5-triazine-2-carbonitrile::CHEMBL568171 Caspase-6 Homo sapiens 3548.13 ChEMBL 10.1021/jm901069a 10.7270/Q2TX3FG5 19908842 Mott, BT; Ferreira, RS; Simeonov, A; Jadhav, A; Ang, KK; Leister, W; Shen, M; Silveira, JT; Doyle, PS; Arkin, MR; McKerrow, JH; Inglese, J; Austin, CP; Thomas, CJ; Shoichet, BK; Maloney, DJ National Human Genome Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50303417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50303417&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 44459987 104157778 CHEMBL568171 ZINC13831586 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51109741 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-6 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=120&target=Caspase-6&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-6&column=ki&startPg=0&Increment=50&submit=Search 133081971 433921773 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,3K7E,3NKF,3OD5,3P45,3P4U,3QNW,3S70,3V6L,4FXO,4IYR,8EG5,8EG6 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550659 Oc1cc(F)ccc1CNc1ncccc1-c1ncccn1 InChI=1S/C16H13FN4O/c17-12-5-4-11(14(22)9-12)10-21-16-13(3-1-6-18-16)15-19-7-2-8-20-15/h1-9,22H,10H2,(H,18,21) YTVDOVJPKJLMHL-UHFFFAOYSA-N 50117678 CHEMBL3613794 Caspase-6 Homo sapiens 270 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117678&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 2J6 4NBL,8F78 44319963 85431378 CHEMBL3613794 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550660 Oc1cc(F)ccc1CNc1ncccc1-c1cccnn1 InChI=1S/C16H13FN4O/c17-12-6-5-11(15(22)9-12)10-19-16-13(3-1-7-18-16)14-4-2-8-20-21-14/h1-9,22H,10H2,(H,18,19) BORYNQLZHVRGAT-UHFFFAOYSA-N 50623926 CHEMBL5395946 Caspase-6 Homo sapiens 470 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623926&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550661 Oc1cc(F)ccc1CNc1ncccc1-c1ccncn1 InChI=1S/C16H13FN4O/c17-12-4-3-11(15(22)8-12)9-20-16-13(2-1-6-19-16)14-5-7-18-10-21-14/h1-8,10,22H,9H2,(H,19,20) GEXFOIODJDMVND-UHFFFAOYSA-N 50623927 CHEMBL5419392 Caspase-6 Homo sapiens 850 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623927&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search XLW 8F96 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550662 Oc1cc(F)ccc1CNc1ncccc1-c1cnccn1 InChI=1S/C16H13FN4O/c17-12-4-3-11(15(22)8-12)9-21-16-13(2-1-5-20-16)14-10-18-6-7-19-14/h1-8,10,22H,9H2,(H,20,21) BHMDXOZBHRGKNA-UHFFFAOYSA-N 50623928 CHEMBL5440664 Caspase-6 Homo sapiens 180 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623928&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550663 Oc1cc(F)ccc1CNc1ncccc1-c1ccccn1 InChI=1S/C17H14FN3O/c18-13-7-6-12(16(22)10-13)11-21-17-14(4-3-9-20-17)15-5-1-2-8-19-15/h1-10,22H,11H2,(H,20,21) FIQJLLWADQSRDK-UHFFFAOYSA-N 50623929 CHEMBL5415724 Caspase-6 Homo sapiens 95300 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623929&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search XM6 8F97 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550664 Cc1cnc(nc1)-c1cccnc1NCc1ccc(F)cc1O InChI=1S/C17H15FN4O/c1-11-8-20-17(21-9-11)14-3-2-6-19-16(14)22-10-12-4-5-13(18)7-15(12)23/h2-9,23H,10H2,1H3,(H,19,22) QCJANTAYZITGBQ-UHFFFAOYSA-N 50623930 CHEMBL5417769 Caspase-6 Homo sapiens 620 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623930&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550665 Oc1cc(F)ccc1CNc1ncccc1-c1ncc[nH]1 InChI=1S/C15H13FN4O/c16-11-4-3-10(13(21)8-11)9-20-15-12(2-1-5-17-15)14-18-6-7-19-14/h1-8,21H,9H2,(H,17,20)(H,18,19) MFPPUJHTLAJSCS-UHFFFAOYSA-N 50623931 CHEMBL5427104 Caspase-6 Homo sapiens 1150 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623931&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search XOW 8FBV 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550666 Oc1cc(F)ccc1CNc1ncccc1-c1c[nH]cn1 InChI=1S/C15H13FN4O/c16-11-4-3-10(14(21)6-11)7-19-15-12(2-1-5-18-15)13-8-17-9-20-13/h1-6,8-9,21H,7H2,(H,17,20)(H,18,19) GOBKDOPCDPTXFF-UHFFFAOYSA-N 50623932 CHEMBL5426757 Caspase-6 Homo sapiens 4010 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623932&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search XML 8F98 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550667 Oc1cc(F)ccc1CNc1ncccc1-c1cc[nH]n1 InChI=1S/C15H13FN4O/c16-11-4-3-10(14(21)8-11)9-18-15-12(2-1-6-17-15)13-5-7-19-20-13/h1-8,21H,9H2,(H,17,18)(H,19,20) HTPUBIGLNAEASP-UHFFFAOYSA-N 50623933 CHEMBL5429254 Caspase-6 Homo sapiens 12800 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623933&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550668 Oc1cc(F)ccc1CNc1ncccc1-c1cocn1 InChI=1S/C15H12FN3O2/c16-11-4-3-10(14(20)6-11)7-18-15-12(2-1-5-17-15)13-8-21-9-19-13/h1-6,8-9,20H,7H2,(H,17,18) AIPASLMZJHFYBT-UHFFFAOYSA-N 50623934 CHEMBL5433593 Caspase-6 Homo sapiens 1190 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623934&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search XMR 8F99 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550669 Oc1cc(F)ccc1CNc1ncccc1-c1ccon1 InChI=1S/C15H12FN3O2/c16-11-4-3-10(14(20)8-11)9-18-15-12(2-1-6-17-15)13-5-7-21-19-13/h1-8,20H,9H2,(H,17,18) MUOYRIADGONWOZ-UHFFFAOYSA-N 50623935 CHEMBL5423957 Caspase-6 Homo sapiens 980000 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623935&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search XMX 8F9A 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550670 Cn1nccc1-c1cccnc1NCc1ccc(F)cc1O InChI=1S/C16H15FN4O/c1-21-14(6-8-20-21)13-3-2-7-18-16(13)19-10-11-4-5-12(17)9-15(11)22/h2-9,22H,10H2,1H3,(H,18,19) CWHWXISWBIHTFS-UHFFFAOYSA-N 50623936 CHEMBL5424099 Caspase-6 Homo sapiens 182000 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623936&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550671 Oc1cc(F)ccc1CNc1ncccc1-c1cncs1 InChI=1S/C15H12FN3OS/c16-11-4-3-10(13(20)6-11)7-19-15-12(2-1-5-18-15)14-8-17-9-21-14/h1-6,8-9,20H,7H2,(H,18,19) RCSFEABWUDFLHK-UHFFFAOYSA-N 50623937 CHEMBL5413901 Caspase-6 Homo sapiens 106000 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623937&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550672 Oc1cc(F)ccc1CNc1ncccc1-c1cscn1 InChI=1S/C15H12FN3OS/c16-11-4-3-10(14(20)6-11)7-18-15-12(2-1-5-17-15)13-8-21-9-19-13/h1-6,8-9,20H,7H2,(H,17,18) WKWOQITUVVLWGL-UHFFFAOYSA-N 50623938 CHEMBL5394982 Caspase-6 Homo sapiens 5080 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623938&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550673 Cn1ccc(n1)-c1cccnc1NCc1ccc(F)cc1O InChI=1S/C16H15FN4O/c1-21-8-6-14(20-21)13-3-2-7-18-16(13)19-10-11-4-5-12(17)9-15(11)22/h2-9,22H,10H2,1H3,(H,18,19) IEPDKULOXZZPRN-UHFFFAOYSA-N 50623939 CHEMBL5429758 Caspase-6 Homo sapiens 9790 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623939&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550674 Oc1cc(F)ccc1CNc1ncccc1-c1ccns1 InChI=1S/C15H12FN3OS/c16-11-4-3-10(13(20)8-11)9-18-15-12(2-1-6-17-15)14-5-7-19-21-14/h1-8,20H,9H2,(H,17,18) LWDOVJXRULKILC-UHFFFAOYSA-N 50623940 CHEMBL5424498 Caspase-6 Homo sapiens 55100 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623940&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550675 Oc1cc(F)ccc1CNc1ncccc1-c1nccs1 InChI=1S/C15H12FN3OS/c16-11-4-3-10(13(20)8-11)9-19-14-12(2-1-5-17-14)15-18-6-7-21-15/h1-8,20H,9H2,(H,17,19) KQARFFVBFBAPIU-UHFFFAOYSA-N 50623941 CHEMBL5429477 Caspase-6 Homo sapiens 13300 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623941&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550676 Cn1cnc(c1)-c1cccnc1NCc1ccc(F)cc1O InChI=1S/C16H15FN4O/c1-21-9-14(20-10-21)13-3-2-6-18-16(13)19-8-11-4-5-12(17)7-15(11)22/h2-7,9-10,22H,8H2,1H3,(H,18,19) WGRBHYYGVXFACE-UHFFFAOYSA-N 50623942 CHEMBL5431147 Caspase-6 Homo sapiens 760 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623942&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550677 Oc1cc(F)ccc1CNc1ncccc1-c1ccsn1 InChI=1S/C15H12FN3OS/c16-11-4-3-10(14(20)8-11)9-18-15-12(2-1-6-17-15)13-5-7-21-19-13/h1-8,20H,9H2,(H,17,18) VHMHZWAZTGHNTQ-UHFFFAOYSA-N 50623943 CHEMBL5400834 Caspase-6 Homo sapiens 21200 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623943&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search XN5 8F9B 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550678 Oc1cc(F)ccc1CNc1ncccc1-c1nc[nH]n1 InChI=1S/C14H12FN5O/c15-10-4-3-9(12(21)6-10)7-17-13-11(2-1-5-16-13)14-18-8-19-20-14/h1-6,8,21H,7H2,(H,16,17)(H,18,19,20) QRRUXNVQGIXBIR-UHFFFAOYSA-N 50623944 CHEMBL5399818 Caspase-6 Homo sapiens 220 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623944&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550679 Oc1cc(F)ccc1CNc1ncccc1-c1nc[nH]n1 InChI=1S/C14H12FN5O/c15-10-4-3-9(12(21)6-10)7-17-13-11(2-1-5-16-13)14-18-8-19-20-14/h1-6,8,21H,7H2,(H,16,17)(H,18,19,20) QRRUXNVQGIXBIR-UHFFFAOYSA-N 50623944 CHEMBL5399818 Caspase-6 Homo sapiens 220 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623944&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550680 Oc1cc(F)ccc1CNc1ncccc1-c1nc[nH]n1 InChI=1S/C14H12FN5O/c15-10-4-3-9(12(21)6-10)7-17-13-11(2-1-5-16-13)14-18-8-19-20-14/h1-6,8,21H,7H2,(H,16,17)(H,18,19,20) QRRUXNVQGIXBIR-UHFFFAOYSA-N 50623944 CHEMBL5399818 Caspase-6 Homo sapiens 220 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623944&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550681 Oc1cc(F)ccc1CNc1ncccc1-c1ncon1 InChI=1S/C14H11FN4O2/c15-10-4-3-9(12(20)6-10)7-17-13-11(2-1-5-16-13)14-18-8-21-19-14/h1-6,8,20H,7H2,(H,16,17) PKBBIWJHJGYQOB-UHFFFAOYSA-N 50623945 CHEMBL5399563 Caspase-6 Homo sapiens 1160 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623945&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search XNK 8F9D 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550682 Oc1cc(F)ccc1CNc1ncccc1-c1cn[nH]n1 InChI=1S/C14H12FN5O/c15-10-4-3-9(13(21)6-10)7-17-14-11(2-1-5-16-14)12-8-18-20-19-12/h1-6,8,21H,7H2,(H,16,17)(H,18,19,20) TUKSARDPXKOEOZ-UHFFFAOYSA-N 50623946 CHEMBL5419029 Caspase-6 Homo sapiens 1360 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623946&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550683 Oc1cc(F)ccc1CNc1ncccc1-c1cn[nH]n1 InChI=1S/C14H12FN5O/c15-10-4-3-9(13(21)6-10)7-17-14-11(2-1-5-16-14)12-8-18-20-19-12/h1-6,8,21H,7H2,(H,16,17)(H,18,19,20) TUKSARDPXKOEOZ-UHFFFAOYSA-N 50623946 CHEMBL5419029 Caspase-6 Homo sapiens 1360 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623946&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550684 Oc1cc(F)ccc1CNc1ncccc1-c1nnn[nH]1 InChI=1S/C13H11FN6O/c14-9-4-3-8(11(21)6-9)7-16-12-10(2-1-5-15-12)13-17-19-20-18-13/h1-6,21H,7H2,(H,15,16)(H,17,18,19,20) WLAMFJULOLBBRY-UHFFFAOYSA-N 50623947 CHEMBL5399398 Caspase-6 Homo sapiens 2130 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623947&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550685 Oc1cc(F)ccc1CNc1ncccc1-c1nnn[nH]1 InChI=1S/C13H11FN6O/c14-9-4-3-8(11(21)6-9)7-16-12-10(2-1-5-15-12)13-17-19-20-18-13/h1-6,21H,7H2,(H,15,16)(H,17,18,19,20) WLAMFJULOLBBRY-UHFFFAOYSA-N 50623947 CHEMBL5399398 Caspase-6 Homo sapiens 2130 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623947&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550686 Cn1cc(nn1)-c1cccnc1NCc1ccc(F)cc1O InChI=1S/C15H14FN5O/c1-21-9-13(19-20-21)12-3-2-6-17-15(12)18-8-10-4-5-11(16)7-14(10)22/h2-7,9,22H,8H2,1H3,(H,17,18) XGRSGGJSYVXALX-UHFFFAOYSA-N 50623948 CHEMBL5422136 Caspase-6 Homo sapiens 310 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623948&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550687 Oc1cc(F)ccc1CNc1ncccc1-c1nccnn1 InChI=1S/C15H12FN5O/c16-11-4-3-10(13(22)8-11)9-19-14-12(2-1-5-17-14)15-18-6-7-20-21-15/h1-8,22H,9H2,(H,17,19) OJJZLXTYPOUKMM-UHFFFAOYSA-N 50623949 CHEMBL5419962 Caspase-6 Homo sapiens 80 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623949&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550688 Oc1cc(F)ccc1CNc1ncccc1-c1cccs1 InChI=1S/C16H13FN2OS/c17-12-6-5-11(14(20)9-12)10-19-16-13(3-1-7-18-16)15-4-2-8-21-15/h1-9,20H,10H2,(H,18,19) OCLJMASRJGRPNQ-UHFFFAOYSA-N 50623950 CHEMBL5415444 Caspase-6 Homo sapiens 1100000 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623950&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550689 Oc1cc(F)ccc1CNc1ncccc1-c1ccco1 InChI=1S/C16H13FN2O2/c17-12-6-5-11(14(20)9-12)10-19-16-13(3-1-7-18-16)15-4-2-8-21-15/h1-9,20H,10H2,(H,18,19) QAUIYAWAWRTNOK-UHFFFAOYSA-N 50623951 CHEMBL5409183 Caspase-6 Homo sapiens 46100 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623951&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550690 Oc1cc(F)ccc1CNc1ncccc1-c1cn2ccccc2n1 InChI=1S/C19H15FN4O/c20-14-7-6-13(17(25)10-14)11-22-19-15(4-3-8-21-19)16-12-24-9-2-1-5-18(24)23-16/h1-10,12,25H,11H2,(H,21,22) KLMMZMBZJPCHOK-UHFFFAOYSA-N 50623952 CHEMBL5423749 Caspase-6 Homo sapiens 970 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623952&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550691 Oc1cc(F)ccc1CNc1ncccc1-c1nc2ccccc2s1 InChI=1S/C19H14FN3OS/c20-13-8-7-12(16(24)10-13)11-22-18-14(4-3-9-21-18)19-23-15-5-1-2-6-17(15)25-19/h1-10,24H,11H2,(H,21,22) LOZQWZVQORTZEE-UHFFFAOYSA-N 50623953 CHEMBL5395330 Caspase-6 Homo sapiens 9240 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623953&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550692 Oc1cc(F)ccc1CNc1ncccc1-c1nc2ccccc2[nH]1 InChI=1S/C19H15FN4O/c20-13-8-7-12(17(25)10-13)11-22-18-14(4-3-9-21-18)19-23-15-5-1-2-6-16(15)24-19/h1-10,25H,11H2,(H,21,22)(H,23,24) GPIMJZTXLZBHIK-UHFFFAOYSA-N 50623954 CHEMBL5415854 Caspase-6 Homo sapiens 4790 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623954&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550693 Oc1cc(F)ccc1CNc1ncccc1-c1ncccn1 InChI=1S/C16H13FN4O/c17-12-5-4-11(14(22)9-12)10-21-16-13(3-1-6-18-16)15-19-7-2-8-20-15/h1-9,22H,10H2,(H,18,21) YTVDOVJPKJLMHL-UHFFFAOYSA-N 50117678 CHEMBL3613794 Caspase-6 Homo sapiens 430 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117678&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 2J6 4NBL,8F78 44319963 85431378 CHEMBL3613794 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550694 Cc1cnc(nc1)-c1cccnc1NCc1ccc(F)cc1O InChI=1S/C17H15FN4O/c1-11-8-20-17(21-9-11)14-3-2-6-19-16(14)22-10-12-4-5-13(18)7-15(12)23/h2-9,23H,10H2,1H3,(H,19,22) QCJANTAYZITGBQ-UHFFFAOYSA-N 50623930 CHEMBL5417769 Caspase-6 Homo sapiens 840 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623930&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550695 Cn1nccc1-c1cccnc1NCc1ccc(F)cc1O InChI=1S/C16H15FN4O/c1-21-14(6-8-20-21)13-3-2-7-18-16(13)19-10-11-4-5-12(17)9-15(11)22/h2-9,22H,10H2,1H3,(H,18,19) CWHWXISWBIHTFS-UHFFFAOYSA-N 50623936 CHEMBL5424099 Caspase-6 Homo sapiens 157000 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623936&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550696 Cn1ccc(n1)-c1cccnc1NCc1ccc(F)cc1O InChI=1S/C16H15FN4O/c1-21-8-6-14(20-21)13-3-2-7-18-16(13)19-10-11-4-5-12(17)9-15(11)22/h2-9,22H,10H2,1H3,(H,18,19) IEPDKULOXZZPRN-UHFFFAOYSA-N 50623939 CHEMBL5429758 Caspase-6 Homo sapiens 3370 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623939&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51550697 Oc1cc(F)ccc1CNc1ncccc1-c1cn2ccccc2n1 InChI=1S/C19H15FN4O/c20-14-7-6-13(17(25)10-14)11-22-19-15(4-3-8-21-19)16-12-24-9-2-1-5-18(24)23-16/h1-10,12,25H,11H2,(H,21,22) KLMMZMBZJPCHOK-UHFFFAOYSA-N 50623952 CHEMBL5423749 Caspase-6 Homo sapiens 1870 ChEMBL 10.1021/acs.jmedchem.3c00590 10.7270/Q2BK1HR1 37406165 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50623952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50623952&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51536053 O=C(CSC#N)N1c2ccccc2CCc2ccccc12 InChI=1S/C17H14N2OS/c18-12-21-11-17(20)19-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)19/h1-8H,9-11H2 BWJPRMXKIWYPAB-UHFFFAOYSA-N 50617978 CHEMBL1488059 Caspase-6 Homo sapiens >50000 ChEMBL 10.1021/acs.jmedchem.3c00818 10.7270/Q2TX3KRD 37594952 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50617978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50617978&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7 51536054 O=C(CSC#N)N1c2ccccc2Sc2ccc(cc12)C#N InChI=1S/C16H9N3OS2/c17-8-11-5-6-15-13(7-11)19(16(20)9-21-10-18)12-3-1-2-4-14(12)22-15/h1-7H,9H2 GHDYRHSJOHGBSB-UHFFFAOYSA-N 50617985 CHEMBL5406478 Caspase-6 Homo sapiens >50000 ChEMBL 10.1021/acs.jmedchem.3c00818 10.7270/Q2TX3KRD 37594952 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50617985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=120&target=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50617985&enzyme=Caspase-6&column=ki&startPg=0&Increment=50&submit=Search 1 MSSASGLRRGHPAGGEENMTETDAFYKREMFDPAEKYKMDHRRRGIALIFNHERFFWHLTLPERRGTCADRDNLTRRFSDLGFEVKCFNDLKAEELLLKIHEVSTVSHADADCFVCVFLSHGEGNHIYAYDAKIEIQTLTGLFKGDKCHSLVGKPKIFIIQACRGNQHDVPVIPLDVVDNQTEKLDTNITEVDAASVYTLPAGADFLMCYSVAEGYYSHRETVNGSWYIQDLCEMLGKYGSSLEFTELLTLVNRKVSQRRVDFCKDPSAIGKKQVPCFASMLTKKLHFFPKSN 2WDP,4FXO,8FBV,8F9D,8F9C,8F9B,8F9A,8F99,8F98,8F97,8F96,8F78,4IYR,3V6L,3S70,3OD5,3NKF,3K7E,4HVA,3P45,3P4U,3QNW,8EG6,8EG5 Caspase-6 CASP6_HUMAN P55212 Q9BQE7