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 276 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-5 Homo sapiens 12000 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 5327302 8030145 ZINC13491992 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 277 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-5 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=221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 5327304 8030146 ZINC13491971 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 278 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-5 Homo sapiens 98000 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 5327301 8030144 ZINC14942804 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 279 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-5 Homo sapiens 11000 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 5327305 8030147 ZINC14942805 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 280 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-5 Homo sapiens 32000 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 10963183 8030148 ZINC27558682 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 281 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-5 Homo sapiens 23000 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 5327307 8030149 ZINC27555410 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 282 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-5 Homo sapiens 24000 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 5327308 8030150 ZINC13491987 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 283 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-5 Homo sapiens 63000 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 5327309 8030151 ZINC27557896 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 284 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-5 Homo sapiens 36000 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 5327310 8030152 ZINC27553709 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304014 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-5 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 44520164 295369551 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304024 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-5 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 88216880 295369570 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304034 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-5 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 88542593 295369571 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304066 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O InChI=1S/C35H40ClN5O11S/c1-20(2)31(34(48)38-24(17-29(42)43)16-28(36)53(3,50)51)41-33(47)26(15-23-14-13-22-11-7-8-12-25(22)37-23)39-32(46)27(18-30(44)45)40-35(49)52-19-21-9-5-4-6-10-21/h4-14,16,20,24,26-27,31H,15,17-19H2,1-3H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b28-16+/t24-,26+,27+,31+/m1/s1 MFHQDLHNUMVDLA-COLSSZQCSA-N 160781 US10167313, Compound 48::US9045524, 48 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160781&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44519987 295369548 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304067 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O InChI=1S/C30H35ClN4O8S2/c1-18(2)28(30(39)33-22(17-27(36)37)16-26(31)44(4,40)41)34-29(38)25(35-45(42,43)23-13-9-19(3)10-14-23)15-21-12-11-20-7-5-6-8-24(20)32-21/h5-14,16,18,22,25,28,35H,15,17H2,1-4H3,(H,33,39)(H,34,38)(H,36,37)/b26-16+/t22-,25+,28+/m1/s1 IENIVWGNTWFGIT-WQLZMRGMSA-N 160783 US10167313, Compound 50::US9045524, 50 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160783&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 88216787 295369549 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304068 CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C20H29NO6S/c1-19(2,3)26-17(22)14-15(21-18(23)27-20(4,5)6)12-13-28(24,25)16-10-8-7-9-11-16/h7-13,15H,14H2,1-6H3,(H,21,23)/b13-12+/t15-/m1/s1 VUAFUTLGMQEWHT-RDRICISKSA-N 160769 US10167313, Compound 36::US9045524, 36 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160769&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 58206079 295369546 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304069 CC(C)(C)OC(=O)C[C@H](N)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C15H21NO4S/c1-15(2,3)20-14(17)11-12(16)9-10-21(18,19)13-7-5-4-6-8-13/h4-10,12H,11,16H2,1-3H3/b10-9+/t12-/m1/s1 IOAMUGYDDQIFMU-BZYZDCJZSA-N 160770 US10167313, Compound 37::US9045524, 37 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160770&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 58206070 295369547 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304070 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)c1ccccc1)C(O)=O InChI=1S/C29H37N3O8/c1-18(2)23(27(36)37)31-26(35)24(20-14-10-7-11-15-20)32-25(34)21(16-22(33)40-29(3,4)5)30-28(38)39-17-19-12-8-6-9-13-19/h6-15,18,21,23-24H,16-17H2,1-5H3,(H,30,38)(H,31,35)(H,32,34)(H,36,37)/t21-,23-,24-/m0/s1 TWWZUCMYONWXDC-XWGVYQGASA-N 160750 US10167313, Compound 16::US9045524, 16 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160750&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44520371 295369544 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304071 COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(C)C)\C=C\S(C)(=O)=O InChI=1S/C36H46N4O11S/c1-22(2)31(34(44)37-27(19-29(41)49-3)15-16-52(5,47)48)39-35(45)32(26-17-24-13-9-10-14-25(24)18-26)40-33(43)28(20-30(42)50-4)38-36(46)51-21-23-11-7-6-8-12-23/h6-16,22,26-28,31-32H,17-21H2,1-5H3,(H,37,44)(H,38,46)(H,39,45)(H,40,43)/b16-15+/t27-,28+,31+,32+/m1/s1 IFAZRBKXOSUJTL-KXARQNLPSA-N 160784 US10167313, Compound 51::US9045524, 51 Caspase-5 Homo sapiens >3000 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160784&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44520368 295369550 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304072 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-5 Homo sapiens >10000 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 44520164 295369551 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304073 CS(=O)(=O)\C=C\[C@@H](N)CC(O)=O InChI=1S/C6H11NO4S/c1-12(10,11)3-2-5(7)4-6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-/m1/s1 YWOBQYXNTMYGHV-WVSAJJKCSA-N 160824 US10167313, Compound 93::US9045524, 93 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160824&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 58206133 295369567 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304074 CC(C)(C)OC(=O)C[C@H](N)\C=C\S(C)(=O)=O InChI=1S/C10H19NO4S/c1-10(2,3)15-9(12)7-8(11)5-6-16(4,13)14/h5-6,8H,7,11H2,1-4H3/b6-5+/t8-/m1/s1 NRMCWADOPNVXKA-HQZHTGGTSA-N 160766 US10167313, Compound 33::US9045524, 33 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160766&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 58206078 295369545 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304075 CC(C)[C@H](NC(=O)C(Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C35H41N5O11S/c1-21(2)31(34(47)37-25(18-29(41)42)15-16-52(3,49)50)40-33(46)27(17-24-14-13-23-11-7-8-12-26(23)36-24)38-32(45)28(19-30(43)44)39-35(48)51-20-22-9-5-4-6-10-22/h4-16,21,25,27-28,31H,17-20H2,1-3H3,(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,42)(H,43,44)/b16-15+/t25-,27?,28+,31+/m1/s1 XDTNISVZIRJASF-DUQXNPHYSA-N 160804 US9045524, 71 Caspase-5 Homo sapiens >10000 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160804&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 88542583 295369562 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304076 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C35H41N5O11S/c1-21(2)31(34(47)37-25(18-29(41)42)15-16-52(3,49)50)40-33(46)27(17-24-14-13-23-11-7-8-12-26(23)36-24)38-32(45)28(19-30(43)44)39-35(48)51-20-22-9-5-4-6-10-22/h4-16,21,25,27-28,31H,17-20H2,1-3H3,(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,42)(H,43,44)/b16-15+/t25-,27+,28+,31+/m1/s1 XDTNISVZIRJASF-WGPOSJAPSA-N 160788 US10167313, Compound 55::US9045524, 55 Caspase-5 Homo sapiens >10000 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160788&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44520165 295369552 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304077 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)Oc1ccccc1 InChI=1S/C40H43N5O12S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-58(54,55)57-30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32+,33+,36+/m1/s1 FZAVLWDWOZHIBJ-NQKMJEHBSA-N 160798 US10167313, Compound 65::US9045524, 65 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160798&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 88542580 295369557 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304078 CC(C)[C@H](NC(=O)C(Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C40H43N5O11S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-57(54,55)30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32?,33+,36+/m1/s1 CPFXCSLAAJOPLW-SDRXBJFUSA-N 160803 US9045524, 70 Caspase-5 Homo sapiens >10000 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160803&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 67986036 295369561 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304079 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C40H43N5O11S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-57(54,55)30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32+,33+,36+/m1/s1 CPFXCSLAAJOPLW-NQKMJEHBSA-N 160796 US10167313, Compound 63::US9045524, 63 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160796&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 67986027 295369556 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304080 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)\C=C\S(=O)(=O)N1CCOCC1 InChI=1S/C46H62N6O12S/c1-30(2)40(43(57)48-34(27-38(53)63-45(3,4)5)20-25-65(59,60)52-21-23-61-24-22-52)51-42(56)36(26-33-19-18-32-16-12-13-17-35(32)47-33)49-41(55)37(28-39(54)64-46(6,7)8)50-44(58)62-29-31-14-10-9-11-15-31/h9-20,25,30,34,36-37,40H,21-24,26-29H2,1-8H3,(H,48,57)(H,49,55)(H,50,58)(H,51,56)/b25-20+/t34-,36+,37+,40+/m1/s1 GVTFGSNZLNVNEH-GSIBMNKWSA-N 160799 US10167313, Compound 66::US9045524, 66 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160799&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 88216341 295369558 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304081 CC(C)[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C36H41N5O11S/c1-23(2)32(35(48)38-26(20-30(42)43)16-18-53(50,51)27-14-7-4-8-15-27)41-34(47)28(19-25-13-9-10-17-37-25)39-33(46)29(21-31(44)45)40-36(49)52-22-24-11-5-3-6-12-24/h3-18,23,26,28-29,32H,19-22H2,1-2H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b18-16+/t26-,28+,29+,32+/m1/s1 XTKUMMDOZMHSCM-DYDABGNVSA-N 160816 US10167313, Compound 85::US9045524, 85 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160816&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 70218944 295369565 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304082 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C36H40N4O11S/c1-23(2)31(34(46)37-26(20-29(41)42)18-19-52(49,50)27-16-10-5-11-17-27)39-35(47)32(25-14-8-4-9-15-25)40-33(45)28(21-30(43)44)38-36(48)51-22-24-12-6-3-7-13-24/h3-19,23,26,28,31-32H,20-22H2,1-2H3,(H,37,46)(H,38,48)(H,39,47)(H,40,45)(H,41,42)(H,43,44)/b19-18+/t26-,28+,31+,32+/m1/s1 XNKWERCTKCULEN-OPZJAVCUSA-N 160802 US10167313, Compound 69::US9045524, 69 Caspase-5 Homo sapiens >10000 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160802&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 67986025 295369560 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304083 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C32H40N4O12S/c1-19(2)28(31(44)33-22(16-26(38)39)13-14-49(3,46)47)36-30(43)24(15-20-9-11-23(37)12-10-20)34-29(42)25(17-27(40)41)35-32(45)48-18-21-7-5-4-6-8-21/h4-14,19,22,24-25,28,37H,15-18H2,1-3H3,(H,33,44)(H,34,42)(H,35,45)(H,36,43)(H,38,39)(H,40,41)/b14-13+/t22-,24+,25+,28+/m1/s1 HIQKYBKHPZKDSE-LJKYIEEGSA-N 160808 US10167313, Compound 76::US9045524, 76 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160808&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 88542581 295369563 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304084 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C34H42N4O11S/c1-20(2)29(32(44)35-25(17-27(39)40)13-14-50(3,47)48)37-33(45)30(24-15-22-11-7-8-12-23(22)16-24)38-31(43)26(18-28(41)42)36-34(46)49-19-21-9-5-4-6-10-21/h4-14,20,24-26,29-30H,15-19H2,1-3H3,(H,35,44)(H,36,46)(H,37,45)(H,38,43)(H,39,40)(H,41,42)/b14-13+/t25-,26+,29+,30+/m1/s1 UPNDCXMMARFRPM-RNDACTHJSA-N 160790 US10167313, Compound 57::US9045524, 57 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160790&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44473416 295369553 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304085 CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O 160819 US10167313, Compound 88::US9045524, 88 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160819&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44520167 295369566 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304086 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C28H38N4O13S/c1-16(2)24(27(41)29-18(13-22(35)36)11-12-46(3,43)44)32-25(39)19(9-10-21(33)34)30-26(40)20(14-23(37)38)31-28(42)45-15-17-7-5-4-6-8-17/h4-8,11-12,16,18-20,24H,9-10,13-15H2,1-3H3,(H,29,41)(H,30,40)(H,31,42)(H,32,39)(H,33,34)(H,35,36)(H,37,38)/b12-11+/t18-,19+,20+,24+/m1/s1 SXHHMPCBHMVLQW-UFEMVYOUSA-N 160792 US10167313, Compound 59::US9045524, 59 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160792&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44520166 295369554 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304087 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C19H26N2O7S/c1-13(2)17(21-19(25)28-12-14-7-5-4-6-8-14)18(24)20-15(11-16(22)23)9-10-29(3,26)27/h4-10,13,15,17H,11-12H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/b10-9+/t15-,17+/m1/s1 CCVBKVXTZSDRHL-AMMZPXFLSA-N 160794 US10167313, Compound 61::US9045524, 61 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160794&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 52948065 295369555 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304088 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)C(C)C InChI=1S/C36H46N4O11S/c1-21(2)31(34(46)37-27(18-29(41)42)14-15-52(49,50)22(3)4)39-35(47)32(26-16-24-12-8-9-13-25(24)17-26)40-33(45)28(19-30(43)44)38-36(48)51-20-23-10-6-5-7-11-23/h5-15,21-22,26-28,31-32H,16-20H2,1-4H3,(H,37,46)(H,38,48)(H,39,47)(H,40,45)(H,41,42)(H,43,44)/b15-14+/t27-,28+,31+,32+/m1/s1 XEWZRZSJGJZHSY-QVZFUARWSA-N 160801 US10167313, Compound 68::US9045524, 68 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160801&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 88215480 295369559 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304089 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C36H42N4O10S/c1-23(2)32(35(46)37-24(3)33(44)38-27(21-31(42)43)18-19-51(48,49)29-12-8-5-9-13-29)40-34(45)30(20-25-14-16-28(41)17-15-25)39-36(47)50-22-26-10-6-4-7-11-26/h4-19,23-24,27,30,32,41H,20-22H2,1-3H3,(H,37,46)(H,38,44)(H,39,47)(H,40,45)(H,42,43)/b19-18+/t24-,27+,30-,32-/m0/s1 ZCONVUIWLFTKHH-WOIMJGHISA-N 160827 US10167313, Compound 96::US9045524, 96 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160827&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 70244590 295369568 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304090 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C33H42N4O12S/c1-20(2)29(32(45)34-23(18-28(41)42)15-16-50(3,47)48)37-30(43)25(13-14-27(39)40)35-31(44)26(17-21-9-11-24(38)12-10-21)36-33(46)49-19-22-7-5-4-6-8-22/h4-12,15-16,20,23,25-26,29,38H,13-14,17-19H2,1-3H3,(H,34,45)(H,35,44)(H,36,46)(H,37,43)(H,39,40)(H,41,42)/b16-15+/t23-,25+,26+,29+/m1/s1 CEFXQYILQBZDCM-JNINCFPBSA-N 160813 US10167313, Compound 82::US9045524, 82 Caspase-5 Homo sapiens >3000 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160813&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 88216574 295369564 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 304091 COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C)\C=C\S(C)(=O)=O InChI=1S/C33H42N4O11S/c1-21(2)28(31(41)34-24(18-26(38)46-3)16-17-49(5,44)45)36-32(42)29(23-14-10-7-11-15-23)37-30(40)25(19-27(39)47-4)35-33(43)48-20-22-12-8-6-9-13-22/h6-17,21,24-25,28-29H,18-20H2,1-5H3,(H,34,41)(H,35,43)(H,36,42)(H,37,40)/b17-16+/t24-,25+,28+,29+/m1/s1 ZAVOUVXKATZEMZ-IJRWZYHLSA-N 160832 US9045524, 101 Caspase-5 Homo sapiens >3330 37.00 C US Patent 10.7270/Q2GT5KX8 aid1801282 US9045524 Ahlfors, J; Mekouar, K NOVAGENESIS FOUNDATION http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160832&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 88216575 295369569 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 390296 OC(=O)Cc1ccc(cc1)-c1ccccc1 InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16) QRZAKQDHEVVFRX-UHFFFAOYSA-N 223312 Felbinac Caspase-5 Homo sapiens 2.6e+3 7.4 Curated from the literature by BindingDB 10.1016/j.chembiol.2017.02.003 10.7270/Q2C53JQX 28238723 aid1802657 Smith, CE; Soti, S; Jones, TA; Nakagawa, A; Xue, D; Yin, H University of Colorado http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223312&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search BP4 3332 336285187 DB07477 C03768 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 390301 OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1 InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19) ZPAKPRAICRBAOD-UHFFFAOYSA-N 50240374 3-(4-biphenylylcarbonyl)propionic acid::3-(4-phenylbenzoyl)propionic acid::4-(4-biphenylyl)-4-oxobutyric acid::4-[1,1'-biphenyl-4-yl]-4-oxobutanoic acid::4-biphenyl-4-yl-4-oxobutanoic acid::CHEMBL277522::Fenbufen::gamma-oxo(1,1'-biphenyl)-4-butanoic acid Caspase-5 Homo sapiens 8.7e+2 7.4 Curated from the literature by BindingDB 10.1016/j.chembiol.2017.02.003 10.7270/Q2C53JQX 28238723 aid1802657 Smith, CE; Soti, S; Jones, TA; Nakagawa, A; Xue, D; Yin, H University of Colorado http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240374&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 3335 104098254 31599 CHEMBL277522 DB08981 ZINC00001427 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 390305 CC(C)Cc1ccc(cc1)C(C)C(O)=O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N 50009859 (+-)-2-(p-isobutylphenyl)propionic acid::(+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid::(+-)-ibuprofen::(+-)-p-isobutylhydratropic acid::(4-isobutylphenyl)-alpha-methylacetic acid::(RS)-ibuprofen::2-(4-isobutylphenyl)propanoic acid::2-[4-(2-methylpropyl)phenyl]propanoic acid::4-isobutylhydratropic acid::Advil::Brufen::CHEMBL521::IBUPROFEN LYSINE::Ibuprofen::Ibuprofen (1)::Motrin::alpha-(4-isobutylphenyl)propionic acid::alpha-(p-isobutylphenyl)propionic acid Caspase-5 Homo sapiens 8.1e+3 7.4 Curated from the literature by BindingDB 10.1016/j.chembiol.2017.02.003 10.7270/Q2C53JQX 28238723 aid1802657 Smith, CE; Soti, S; Jones, TA; Nakagawa, A; Xue, D; Yin, H University of Colorado http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009859&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search IBP 3672 103922841 5855 CHEMBL521 DB01050 2713 C01588 ZINC38141759 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 390310 CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21) RJMIEHBSYVWVIN-UHFFFAOYSA-N 50233673 (+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic acid::2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic acid::2-[4-(1-Oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-propionic acid::CHEMBL15870::INDOPROFEN::cid_3718 Caspase-5 Homo sapiens 5.9e+2 7.4 Curated from the literature by BindingDB 10.1016/j.chembiol.2017.02.003 10.7270/Q2C53JQX 28238723 aid1802657 Smith, CE; Soti, S; Jones, TA; Nakagawa, A; Xue, D; Yin, H University of Colorado http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233673&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 3718 104055735 CHEMBL15870 DB08951 ZINC00156823 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 390315 OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1 InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19) OZWKMVRBQXNZKK-UHFFFAOYSA-N 85511 CAS_74103-07-4::KETOROLAC::Ketorolac tris salt::Toradol Caspase-5 Homo sapiens 1.0e+3 7.4 Curated from the literature by BindingDB 10.1016/j.chembiol.2017.02.003 10.7270/Q2C53JQX 28238723 aid1802657 Smith, CE; Soti, S; Jones, TA; Nakagawa, A; Xue, D; Yin, H University of Colorado http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85511&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search KTR 3826 136351611 DB00465 C07062 ZINC00011012 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 390320 CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1 InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N 50022271 2-(3-Benzoylphenyl)propionic acid::2-(3-benzoylphenyl)propanoic acid::3-Benzoyl-alpha-methylbenzeneacetic acid::3-Benzoylhydratropic acid::CHEMBL571::Dexketoprofen trometamol::KETOPROFEN::L'Acide (benzoyl-3-phenyl)-2-propionique::Orudis (TN)::m-Benzoylhydratropic acid Caspase-5 Homo sapiens 1.0e+4 7.4 Curated from the literature by BindingDB 10.1016/j.chembiol.2017.02.003 10.7270/Q2C53JQX 28238723 aid1802657 Smith, CE; Soti, S; Jones, TA; Nakagawa, A; Xue, D; Yin, H University of Colorado http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50022271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50022271&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 9KL 3825 103932891 6128 CHEMBL571 DB01009 4795 C01716 ZINC00005560 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 390325 COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 CMWTZPSULFXXJA-VIFPVBQESA-N 50339185 (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid::(S)-2-(6-Methoxy-naphthalen-2-yl)-propionic acid::(S)-2-(6-methoxynaphthalen-2-yl)propanoic acid::(S)-naproxen::2-(6-Methoxy-naphthalen-2-yl)-propionic acid::2-(6-Methoxy-naphthalen-2-yl)-propionic acid(naproxen)::2-(6-methoxy-2-naphthyl)propanoic acid::2-(6-methoxynaphthalen-2-yl)propanoic acid::Aleve::Anaprox::CHEMBL154::Ec-naprosyn::Equiproxen::Naprelan::Naprosyn::Naproxen::Naproxen2-(6-Methoxy-naphthalen-2-yl)-propionic acid::RS-3540::S-NAPROXEN::US11459295, Compound S-Naproxen (1)::naproxene Caspase-5 Homo sapiens 1.1e+4 7.4 Curated from the literature by BindingDB 10.1016/j.chembiol.2017.02.003 10.7270/Q2C53JQX 28238723 aid1802657 Smith, CE; Soti, S; Jones, TA; Nakagawa, A; Xue, D; Yin, H University of Colorado http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339185&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search NPS 156391 125089287 7476 CHEMBL154 DB00788 5230 C01517 ZINC00105216 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 390330 CC(C(O)=O)c1ccc(s1)C(=O)c1ccccc1 InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17) GUHPRPJDBZHYCJ-UHFFFAOYSA-N 223313 Tiaprofenic acid Caspase-5 Homo sapiens 4.7e+2 7.4 Curated from the literature by BindingDB 10.1016/j.chembiol.2017.02.003 10.7270/Q2C53JQX 28238723 aid1802657 Smith, CE; Soti, S; Jones, TA; Nakagawa, A; Xue, D; Yin, H University of Colorado http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=223313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=223313&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 5468 336285188 DB01600 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50295668 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-5 Homo sapiens 0.200000 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 91933271 104047412 CHEMBL366927 ZINC28136084 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50295731 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-5 Homo sapiens 0.810000 ChEMBL 10.1016/j.bmcl.2004.12.006 10.7270/Q2D50MGS 15686936 Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Merck Frosst Centre for Therapeutic Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 91933270 104047395 CHEMBL179503 ZINC14164654 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50905135 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-5 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 44255320 104156468 CHEMBL567893 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 51045110 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-5 Homo sapiens 35200 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 71716242 164155438 CHEMBL2323967 ZINC95583147 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 51045113 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-5 Homo sapiens 19500 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 71719897 164155437 CHEMBL2324339 ZINC95581513 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 51045132 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-5 Homo sapiens 750 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 71718085 164155440 CHEMBL2324340 ZINC95581891 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 51045136 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-5 Homo sapiens 560 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 71720507 164155439 CHEMBL2323966 ZINC95583085 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 51045150 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-5 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 71471109 164155441 CHEMBL2324341 ZINC95584156 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 51013598 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-5 Homo sapiens 13489.63 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 44459987 104157778 CHEMBL568171 ZINC13831586 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526495 C[C@]12CC=C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 InChI=1S/C37H50N6O2/c1-36-13-11-27(44)23-26(36)7-8-28-29-9-10-31(37(29,2)14-12-30(28)36)32(45)25-40-19-21-42(22-20-40)34-24-33(41-15-3-4-16-41)38-35(39-34)43-17-5-6-18-43/h11-13,23-24,28-29,31H,3-10,14-22,25H2,1-2H3/t28-,29-,31+,36-,37-/m0/s1 LBGLGTAQLROFTM-IVXSZDMTSA-N 166683 U74389G (B9) Caspase-5 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=166683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=166683&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 104934 312320573 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526496 C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccncc1 InChI=1S/C22H31N7/c1-2-10-27(9-1)20-17-21(25-22(24-20)29-11-3-4-12-29)28-15-13-26(14-16-28)18-19-5-7-23-8-6-19/h5-8,17H,1-4,9-16,18H2 RVAGESXTEHAWEY-UHFFFAOYSA-N 50200545 CHEMBL3965572 Caspase-5 Homo sapiens 34 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200545&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134149983 375978996 CHEMBL3965572 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526497 COc1cccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)c1 InChI=1S/C24H34N6O/c1-31-21-8-6-7-20(17-21)19-27-13-15-29(16-14-27)23-18-22(28-9-2-3-10-28)25-24(26-23)30-11-4-5-12-30/h6-8,17-18H,2-5,9-16,19H2,1H3 ZHVMILHEPYUCKZ-UHFFFAOYSA-N 50200546 CHEMBL3939229 Caspase-5 Homo sapiens 111 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200546&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134148745 375978997 CHEMBL3939229 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526498 C(Cc1ccccc1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 InChI=1S/C24H34N6/c1-2-8-21(9-3-1)10-15-27-16-18-29(19-17-27)23-20-22(28-11-4-5-12-28)25-24(26-23)30-13-6-7-14-30/h1-3,8-9,20H,4-7,10-19H2 GRTICURLEQIPRO-UHFFFAOYSA-N 50200547 CHEMBL3949842 Caspase-5 Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200547&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134147411 375978998 CHEMBL3949842 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526499 C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1cccnc1 InChI=1S/C22H31N7/c1-2-9-27(8-1)20-16-21(25-22(24-20)29-10-3-4-11-29)28-14-12-26(13-15-28)18-19-6-5-7-23-17-19/h5-7,16-17H,1-4,8-15,18H2 ADCRWKOZMQLEEC-UHFFFAOYSA-N 50200548 CHEMBL3895496 Caspase-5 Homo sapiens 155 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200548&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134136688 375978999 CHEMBL3895496 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526510 C[C@]12CC=C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 InChI=1S/C37H50N6O2/c1-36-13-11-27(44)23-26(36)7-8-28-29-9-10-31(37(29,2)14-12-30(28)36)32(45)25-40-19-21-42(22-20-40)34-24-33(41-15-3-4-16-41)38-35(39-34)43-17-5-6-18-43/h11-13,23-24,28-29,31H,3-10,14-22,25H2,1-2H3/t28-,29-,31+,36-,37-/m0/s1 LBGLGTAQLROFTM-IVXSZDMTSA-N 166683 U74389G (B9) Caspase-5 Homo sapiens 910 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=166683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=166683&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 104934 312320573 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526511 C(C1CCCCC1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 InChI=1S/C23H38N6/c1-2-8-20(9-3-1)19-26-14-16-28(17-15-26)22-18-21(27-10-4-5-11-27)24-23(25-22)29-12-6-7-13-29/h18,20H,1-17,19H2 ZMIXZDFAIQPNIS-UHFFFAOYSA-N 50200551 CHEMBL3978901 Caspase-5 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200551&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134152014 375979002 CHEMBL3978901 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526519 C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1cccnc1 InChI=1S/C22H31N7/c1-2-9-27(8-1)20-16-21(25-22(24-20)29-10-3-4-11-29)28-14-12-26(13-15-28)18-19-6-5-7-23-17-19/h5-7,16-17H,1-4,8-15,18H2 ADCRWKOZMQLEEC-UHFFFAOYSA-N 50200548 CHEMBL3895496 Caspase-5 Homo sapiens 254 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200548&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134136688 375978999 CHEMBL3895496 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526526 C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccccc1 InChI=1S/C23H32N6/c1-2-8-20(9-3-1)19-26-14-16-28(17-15-26)22-18-21(27-10-4-5-11-27)24-23(25-22)29-12-6-7-13-29/h1-3,8-9,18H,4-7,10-17,19H2 HSCFCMDPCFLHTC-UHFFFAOYSA-N 50200549 CHEMBL3932441 Caspase-5 Homo sapiens 41 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200549&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134138690 375979000 CHEMBL3932441 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526546 CC1Oc2c(C)c(C)c(O)c(C)c2CC1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 InChI=1S/C30H44N6O2/c1-20-21(2)29-25(22(3)28(20)37)17-24(23(4)38-29)19-33-13-15-35(16-14-33)27-18-26(34-9-5-6-10-34)31-30(32-27)36-11-7-8-12-36/h18,23-24,37H,5-17,19H2,1-4H3 SCUZVSHLJVHGDP-UHFFFAOYSA-N 50200553 CHEMBL3898379 Caspase-5 Homo sapiens 350 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200553&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 9828058 375979004 CHEMBL3898379 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526547 CC1Oc2c(C)c(C)c(O)c(C)c2CC1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 InChI=1S/C30H44N6O2/c1-20-21(2)29-25(22(3)28(20)37)17-24(23(4)38-29)19-33-13-15-35(16-14-33)27-18-26(34-9-5-6-10-34)31-30(32-27)36-11-7-8-12-36/h18,23-24,37H,5-17,19H2,1-4H3 SCUZVSHLJVHGDP-UHFFFAOYSA-N 50200553 CHEMBL3898379 Caspase-5 Homo sapiens 81 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200553&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 9828058 375979004 CHEMBL3898379 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526548 C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1 InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2 XTPTVAPEXHUUDR-UHFFFAOYSA-N 50200550 CHEMBL3905486 Caspase-5 Homo sapiens 205 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200550&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 14585243 375979001 CHEMBL3905486 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526549 C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1 InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2 XTPTVAPEXHUUDR-UHFFFAOYSA-N 50200550 CHEMBL3905486 Caspase-5 Homo sapiens 47 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200550&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 14585243 375979001 CHEMBL3905486 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526550 C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccncc1 InChI=1S/C22H31N7/c1-2-10-27(9-1)20-17-21(25-22(24-20)29-11-3-4-12-29)28-15-13-26(14-16-28)18-19-5-7-23-8-6-19/h5-8,17H,1-4,9-16,18H2 RVAGESXTEHAWEY-UHFFFAOYSA-N 50200545 CHEMBL3965572 Caspase-5 Homo sapiens 146 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200545&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134149983 375978996 CHEMBL3965572 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526551 C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1cccnc1 InChI=1S/C22H31N7/c1-2-9-27(8-1)20-16-21(25-22(24-20)29-10-3-4-11-29)28-14-12-26(13-15-28)18-19-6-5-7-23-17-19/h5-7,16-17H,1-4,8-15,18H2 ADCRWKOZMQLEEC-UHFFFAOYSA-N 50200548 CHEMBL3895496 Caspase-5 Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200548&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134136688 375978999 CHEMBL3895496 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526552 FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F InChI=1S/C25H30F6N6/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)17-34-9-11-36(12-10-34)22-16-21(35-5-1-2-6-35)32-23(33-22)37-7-3-4-8-37/h13-16H,1-12,17H2 TWGFWBPIHYEITI-UHFFFAOYSA-N 50200552 CHEMBL3898411 Caspase-5 Homo sapiens 48 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200552&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134134572 375979003 CHEMBL3898411 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526553 FC(F)(F)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 InChI=1S/C24H31F3N6/c25-24(26,27)20-7-5-19(6-8-20)18-30-13-15-32(16-14-30)22-17-21(31-9-1-2-10-31)28-23(29-22)33-11-3-4-12-33/h5-8,17H,1-4,9-16,18H2 UTNIELHSQXTLFN-UHFFFAOYSA-N 50200554 CHEMBL3968765 Caspase-5 Homo sapiens 586 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200554&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134151245 375979005 CHEMBL3968765 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526554 C(C1CCCCC1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 InChI=1S/C23H38N6/c1-2-8-20(9-3-1)19-26-14-16-28(17-15-26)22-18-21(27-10-4-5-11-27)24-23(25-22)29-12-6-7-13-29/h18,20H,1-17,19H2 ZMIXZDFAIQPNIS-UHFFFAOYSA-N 50200551 CHEMBL3978901 Caspase-5 Homo sapiens 254 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200551&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134152014 375979002 CHEMBL3978901 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526555 C(Cc1ccccc1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 InChI=1S/C24H34N6/c1-2-8-21(9-3-1)10-15-27-16-18-29(19-17-27)23-20-22(28-11-4-5-12-28)25-24(26-23)30-13-6-7-14-30/h1-3,8-9,20H,4-7,10-19H2 GRTICURLEQIPRO-UHFFFAOYSA-N 50200547 CHEMBL3949842 Caspase-5 Homo sapiens 71 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200547&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134147411 375978998 CHEMBL3949842 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526556 O=C(c1ccccc1)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 InChI=1S/C30H36N6O/c37-29(25-8-2-1-3-9-25)26-12-10-24(11-13-26)23-33-18-20-35(21-19-33)28-22-27(34-14-4-5-15-34)31-30(32-28)36-16-6-7-17-36/h1-3,8-13,22H,4-7,14-21,23H2 ZJZZXNFEARKFRC-UHFFFAOYSA-N 50200544 CHEMBL3970645 Caspase-5 Homo sapiens 123 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200544&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134153309 375978995 CHEMBL3970645 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526557 COc1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(OC)c1 InChI=1S/C25H36N6O2/c1-32-21-15-20(16-22(17-21)33-2)19-28-11-13-30(14-12-28)24-18-23(29-7-3-4-8-29)26-25(27-24)31-9-5-6-10-31/h15-18H,3-14,19H2,1-2H3 LZSIDSOVZDJMCX-UHFFFAOYSA-N 50200543 CHEMBL3941088 Caspase-5 Homo sapiens 34 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200543&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134145896 375978994 CHEMBL3941088 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526558 C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1cccnc1 InChI=1S/C22H31N7/c1-2-9-27(8-1)20-16-21(25-22(24-20)29-10-3-4-11-29)28-14-12-26(13-15-28)18-19-6-5-7-23-17-19/h5-7,16-17H,1-4,8-15,18H2 ADCRWKOZMQLEEC-UHFFFAOYSA-N 50200548 CHEMBL3895496 Caspase-5 Homo sapiens 2560 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200548&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134136688 375978999 CHEMBL3895496 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526559 FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F InChI=1S/C25H30F6N6/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)17-34-9-11-36(12-10-34)22-16-21(35-5-1-2-6-35)32-23(33-22)37-7-3-4-8-37/h13-16H,1-12,17H2 TWGFWBPIHYEITI-UHFFFAOYSA-N 50200552 CHEMBL3898411 Caspase-5 Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200552&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134134572 375979003 CHEMBL3898411 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526562 [O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 InChI=1S/C23H31N7O2/c31-30(32)20-7-5-19(6-8-20)18-26-13-15-28(16-14-26)22-17-21(27-9-1-2-10-27)24-23(25-22)29-11-3-4-12-29/h5-8,17H,1-4,9-16,18H2 KQLWSSDYPGXCNL-UHFFFAOYSA-N 50200555 CHEMBL3984293 Caspase-5 Homo sapiens 99 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200555&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134156687 375979006 CHEMBL3984293 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526564 FC(F)(F)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 InChI=1S/C24H31F3N6/c25-24(26,27)20-7-5-19(6-8-20)18-30-13-15-32(16-14-30)22-17-21(31-9-1-2-10-31)28-23(29-22)33-11-3-4-12-33/h5-8,17H,1-4,9-16,18H2 UTNIELHSQXTLFN-UHFFFAOYSA-N 50200554 CHEMBL3968765 Caspase-5 Homo sapiens 135 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200554&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134151245 375979005 CHEMBL3968765 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526574 [O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 InChI=1S/C23H31N7O2/c31-30(32)20-7-5-19(6-8-20)18-26-13-15-28(16-14-26)22-17-21(27-9-1-2-10-27)24-23(25-22)29-11-3-4-12-29/h5-8,17H,1-4,9-16,18H2 KQLWSSDYPGXCNL-UHFFFAOYSA-N 50200555 CHEMBL3984293 Caspase-5 Homo sapiens 430 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200555&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134156687 375979006 CHEMBL3984293 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526575 [O-][N+](=O)c1ccccc1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 InChI=1S/C23H31N7O2/c31-30(32)20-8-2-1-7-19(20)18-26-13-15-28(16-14-26)22-17-21(27-9-3-4-10-27)24-23(25-22)29-11-5-6-12-29/h1-2,7-8,17H,3-6,9-16,18H2 ZEWZRCNXHOUXDN-UHFFFAOYSA-N 50200556 CHEMBL3904435 Caspase-5 Homo sapiens 105 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200556&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134135432 375979007 CHEMBL3904435 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526576 COc1cccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)c1 InChI=1S/C24H34N6O/c1-31-21-8-6-7-20(17-21)19-27-13-15-29(16-14-27)23-18-22(28-9-2-3-10-28)25-24(26-23)30-11-4-5-12-30/h6-8,17-18H,2-5,9-16,19H2,1H3 ZHVMILHEPYUCKZ-UHFFFAOYSA-N 50200546 CHEMBL3939229 Caspase-5 Homo sapiens 482 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200546&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134148745 375978997 CHEMBL3939229 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526577 O=C(c1ccccc1)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 InChI=1S/C30H36N6O/c37-29(25-8-2-1-3-9-25)26-12-10-24(11-13-26)23-33-18-20-35(21-19-33)28-22-27(34-14-4-5-15-34)31-30(32-28)36-16-6-7-17-36/h1-3,8-13,22H,4-7,14-21,23H2 ZJZZXNFEARKFRC-UHFFFAOYSA-N 50200544 CHEMBL3970645 Caspase-5 Homo sapiens 28 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200544&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134153309 375978995 CHEMBL3970645 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526580 COc1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(OC)c1 InChI=1S/C25H36N6O2/c1-32-21-15-20(16-22(17-21)33-2)19-28-11-13-30(14-12-28)24-18-23(29-7-3-4-8-29)26-25(27-24)31-9-5-6-10-31/h15-18H,3-14,19H2,1-2H3 LZSIDSOVZDJMCX-UHFFFAOYSA-N 50200543 CHEMBL3941088 Caspase-5 Homo sapiens 149 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200543&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134145896 375978994 CHEMBL3941088 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526581 C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccccc1 InChI=1S/C23H32N6/c1-2-8-20(9-3-1)19-26-14-16-28(17-15-26)22-18-21(27-10-4-5-11-27)24-23(25-22)29-12-6-7-13-29/h1-3,8-9,18H,4-7,10-17,19H2 HSCFCMDPCFLHTC-UHFFFAOYSA-N 50200549 CHEMBL3932441 Caspase-5 Homo sapiens 178 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200549&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134138690 375979000 CHEMBL3932441 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 50526584 [O-][N+](=O)c1ccccc1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 InChI=1S/C23H31N7O2/c31-30(32)20-8-2-1-7-19(20)18-26-13-15-28(16-14-26)22-17-21(27-9-3-4-10-27)24-23(25-22)29-11-5-6-12-29/h1-2,7-8,17H,3-6,9-16,18H2 ZEWZRCNXHOUXDN-UHFFFAOYSA-N 50200556 CHEMBL3904435 Caspase-5 Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2016.10.025 10.7270/Q2NZ89M0 27777011 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE DePaul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50200556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50200556&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 134135432 375979007 CHEMBL3904435 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606910 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O InChI=1S/C35H40ClN5O11S/c1-20(2)31(34(48)38-24(17-29(42)43)16-28(36)53(3,50)51)41-33(47)26(15-23-14-13-22-11-7-8-12-25(22)37-23)39-32(46)27(18-30(44)45)40-35(49)52-19-21-9-5-4-6-10-21/h4-14,16,20,24,26-27,31H,15,17-19H2,1-3H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b28-16+/t24-,26+,27+,31+/m1/s1 MFHQDLHNUMVDLA-COLSSZQCSA-N 160781 US10167313, Compound 48::US9045524, 48 Caspase-5 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160781&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44519987 295369548 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606920 COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(C)C)\C=C\S(C)(=O)=O InChI=1S/C36H46N4O11S/c1-22(2)31(34(44)37-27(19-29(41)49-3)15-16-52(5,47)48)39-35(45)32(26-17-24-13-9-10-14-25(24)18-26)40-33(43)28(20-30(42)50-4)38-36(46)51-21-23-11-7-6-8-12-23/h6-16,22,26-28,31-32H,17-21H2,1-5H3,(H,37,44)(H,38,46)(H,39,45)(H,40,43)/b16-15+/t27-,28+,31+,32+/m1/s1 IFAZRBKXOSUJTL-KXARQNLPSA-N 160784 US10167313, Compound 51::US9045524, 51 Caspase-5 Homo sapiens >3000 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160784&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44520368 295369550 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606925 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-5 Homo sapiens >10000 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 44520164 295369551 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606932 CC(C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C35H41N5O11S/c1-21(2)31(34(47)37-25(18-29(41)42)15-16-52(3,49)50)40-33(46)27(17-24-14-13-23-11-7-8-12-26(23)36-24)38-32(45)28(19-30(43)44)39-35(48)51-20-22-9-5-4-6-10-22/h4-16,21,25,27-28,31H,17-20H2,1-3H3,(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,42)(H,43,44)/b16-15+/t25-,27-,28+,31+/m1/s1 XDTNISVZIRJASF-JGKDXAGSSA-N 314073 US10167313, Compound 71::Z-Asp-(D,L Ala(2'-quinolyl))-Val- Aspmethyl vinylsulfone Caspase-5 Homo sapiens >10000 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314073&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 117803736 383540954 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606937 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C35H41N5O11S/c1-21(2)31(34(47)37-25(18-29(41)42)15-16-52(3,49)50)40-33(46)27(17-24-14-13-23-11-7-8-12-26(23)36-24)38-32(45)28(19-30(43)44)39-35(48)51-20-22-9-5-4-6-10-22/h4-16,21,25,27-28,31H,17-20H2,1-3H3,(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,42)(H,43,44)/b16-15+/t25-,27+,28+,31+/m1/s1 XDTNISVZIRJASF-WGPOSJAPSA-N 160788 US10167313, Compound 55::US9045524, 55 Caspase-5 Homo sapiens >10000 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160788&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44520165 295369552 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606942 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)Oc1ccccc1 InChI=1S/C40H43N5O12S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-58(54,55)57-30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32+,33+,36+/m1/s1 FZAVLWDWOZHIBJ-NQKMJEHBSA-N 160798 US10167313, Compound 65::US9045524, 65 Caspase-5 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160798&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 88542580 295369557 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606946 CC(C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C40H43N5O11S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-57(54,55)30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32-,33+,36+/m1/s1 CPFXCSLAAJOPLW-IHJNOYNJSA-N 314076 US10167313, Compound 70::Z-Asp-(D,L Ala(2'-quinolyl))-Val- Aspphenyl vinylsulfone Caspase-5 Homo sapiens >10000 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314076&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 117804513 383540957 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606951 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C40H43N5O11S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-57(54,55)30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32+,33+,36+/m1/s1 CPFXCSLAAJOPLW-NQKMJEHBSA-N 160796 US10167313, Compound 63::US9045524, 63 Caspase-5 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160796&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 67986027 295369556 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606957 CC(C)[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C36H41N5O11S/c1-23(2)32(35(48)38-26(20-30(42)43)16-18-53(50,51)27-14-7-4-8-15-27)41-34(47)28(19-25-13-9-10-17-37-25)39-33(46)29(21-31(44)45)40-36(49)52-22-24-11-5-3-6-12-24/h3-18,23,26,28-29,32H,19-22H2,1-2H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b18-16+/t26-,28+,29+,32+/m1/s1 XTKUMMDOZMHSCM-DYDABGNVSA-N 160816 US10167313, Compound 85::US9045524, 85 Caspase-5 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160816&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 70218944 295369565 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606963 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C32H40N4O12S/c1-19(2)28(31(44)33-22(16-26(38)39)13-14-49(3,46)47)36-30(43)24(15-20-9-11-23(37)12-10-20)34-29(42)25(17-27(40)41)35-32(45)48-18-21-7-5-4-6-8-21/h4-14,19,22,24-25,28,37H,15-18H2,1-3H3,(H,33,44)(H,34,42)(H,35,45)(H,36,43)(H,38,39)(H,40,41)/b14-13+/t22-,24+,25+,28+/m1/s1 HIQKYBKHPZKDSE-LJKYIEEGSA-N 160808 US10167313, Compound 76::US9045524, 76 Caspase-5 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160808&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 88542581 295369563 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606968 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C34H42N4O11S/c1-20(2)29(32(44)35-25(17-27(39)40)13-14-50(3,47)48)37-33(45)30(24-15-22-11-7-8-12-23(22)16-24)38-31(43)26(18-28(41)42)36-34(46)49-19-21-9-5-4-6-10-21/h4-14,20,24-26,29-30H,15-19H2,1-3H3,(H,35,44)(H,36,46)(H,37,45)(H,38,43)(H,39,40)(H,41,42)/b14-13+/t25-,26+,29+,30+/m1/s1 UPNDCXMMARFRPM-RNDACTHJSA-N 160790 US10167313, Compound 57::US9045524, 57 Caspase-5 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160790&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44473416 295369553 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606973 CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O 160819 US10167313, Compound 88::US9045524, 88 Caspase-5 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160819&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44520167 295369566 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606978 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C28H38N4O13S/c1-16(2)24(27(41)29-18(13-22(35)36)11-12-46(3,43)44)32-25(39)19(9-10-21(33)34)30-26(40)20(14-23(37)38)31-28(42)45-15-17-7-5-4-6-8-17/h4-8,11-12,16,18-20,24H,9-10,13-15H2,1-3H3,(H,29,41)(H,30,40)(H,31,42)(H,32,39)(H,33,34)(H,35,36)(H,37,38)/b12-11+/t18-,19+,20+,24+/m1/s1 SXHHMPCBHMVLQW-UFEMVYOUSA-N 160792 US10167313, Compound 59::US9045524, 59 Caspase-5 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160792&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44520166 295369554 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606983 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C19H26N2O7S/c1-13(2)17(21-19(25)28-12-14-7-5-4-6-8-14)18(24)20-15(11-16(22)23)9-10-29(3,26)27/h4-10,13,15,17H,11-12H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/b10-9+/t15-,17+/m1/s1 CCVBKVXTZSDRHL-AMMZPXFLSA-N 160794 US10167313, Compound 61::US9045524, 61 Caspase-5 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160794&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 52948065 295369555 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606988 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)C(C)C InChI=1S/C36H46N4O11S/c1-21(2)31(34(46)37-27(18-29(41)42)14-15-52(49,50)22(3)4)39-35(47)32(26-16-24-12-8-9-13-25(24)17-26)40-33(45)28(19-30(43)44)38-36(48)51-20-23-10-6-5-7-11-23/h5-15,21-22,26-28,31-32H,16-20H2,1-4H3,(H,37,46)(H,38,48)(H,39,47)(H,40,45)(H,41,42)(H,43,44)/b15-14+/t27-,28+,31+,32+/m1/s1 XEWZRZSJGJZHSY-QVZFUARWSA-N 160801 US10167313, Compound 68::US9045524, 68 Caspase-5 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160801&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 88215480 295369559 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606993 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 InChI=1S/C36H42N4O10S/c1-23(2)32(35(46)37-24(3)33(44)38-27(21-31(42)43)18-19-51(48,49)29-12-8-5-9-13-29)40-34(45)30(20-25-14-16-28(41)17-15-25)39-36(47)50-22-26-10-6-4-7-11-26/h4-19,23-24,27,30,32,41H,20-22H2,1-3H3,(H,37,46)(H,38,44)(H,39,47)(H,40,45)(H,42,43)/b19-18+/t24-,27+,30-,32-/m0/s1 ZCONVUIWLFTKHH-WOIMJGHISA-N 160827 US10167313, Compound 96::US9045524, 96 Caspase-5 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160827&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 70244590 295369568 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 606998 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O InChI=1S/C33H42N4O12S/c1-20(2)29(32(45)34-23(18-28(41)42)15-16-50(3,47)48)37-30(43)25(13-14-27(39)40)35-31(44)26(17-21-9-11-24(38)12-10-21)36-33(46)49-19-22-7-5-4-6-8-22/h4-12,15-16,20,23,25-26,29,38H,13-14,17-19H2,1-3H3,(H,34,45)(H,35,44)(H,36,46)(H,37,43)(H,39,40)(H,41,42)/b16-15+/t23-,25+,26+,29+/m1/s1 CEFXQYILQBZDCM-JNINCFPBSA-N 160813 US10167313, Compound 82::US9045524, 82 Caspase-5 Homo sapiens >3000 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160813&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 88216574 295369564 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 607005 CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O InChI=1S/C35H40ClN5O11S/c1-20(2)31(34(48)38-24(17-29(42)43)16-28(36)53(3,50)51)41-33(47)26(15-23-14-13-22-11-7-8-12-25(22)37-23)39-32(46)27(18-30(44)45)40-35(49)52-19-21-9-5-4-6-10-21/h4-14,16,20,24,26-27,31H,15,17-19H2,1-3H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b28-16+/t24-,26+,27+,31+/m1/s1 MFHQDLHNUMVDLA-COLSSZQCSA-N 160781 US10167313, Compound 48::US9045524, 48 Caspase-5 Homo sapiens >3330 US Patent 10.7270/Q2Q81G59 aid1796458 US10167313 Ahlfors, J; Mekouar, K Genesis Technologies Limited http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=122&target=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160781&enzyme=Caspase-5&column=ki&startPg=0&Increment=50&submit=Search 44519987 295369548 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7 51109742 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-5 Homo sapiens 2980 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=122&target=Caspase-5&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-5&column=ki&startPg=0&Increment=50&submit=Search 133081971 433921773 1 MAEDSGKKKRRKNFEAMFKGILQSGLDNFVINHMLKNNVAGQTSIQTLVPNTDQKSTSVKKDNHKKKTVKMLEYLGKDVLHGVFNYLAKHDVLTLKEEEKKKYYDTKIEDKALILVDSLRKNRVAHQMFTQTLLNMDQKITSVKPLLQIEAGPPESAESTNILKLCPREEFLRLCKKNHDEIYPIKKREDRRRLALIICNTKFDHLPARNGAHYDIVGMKRLLQGLGYTVVDEKNLTARDMESVLRAFAARPEHKSSDSTFLVLMSHGILEGICGTAHKKKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGEKHGELWVRDSPASLALISSQSSENLEADSVCKIHEEKDFIAFCSSTPHNVSWRDRTRGSIFITELITCFQKYSCCCHLMEIFRKVQKSFEVPQAKAQMPTIERATLTRDFYLFPGN Caspase-5 CASP5_HUMAN P51878 B4DKP5 Q0QVY7 Q0QVY8 Q0QVZ0 Q0QVZ1 Q0QVZ2 Q14DD6 Q1HBJ3 Q6DJV7