Compile Data Set for Download or QSAR

Found 177 hits with Last Name = 'talanian' and Initial = 'rv'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-1 (Homo sapiens (Human))	BDBM12197 ((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C34H46N4O8/c1-21(2)31(38-33(45)28(36-23(4)39)19-25-15-17-26(40)18-16-25)34(46)35-22(3)32(44)37-27(20-30(42)43)29(41)14-10-6-9-13-24-11-7-5-8-12-24/h5,7-8,11-12,15-18,21-22,27-28,31,40H,6,9-10,13-14,19-20H2,1-4H3,(H,35,46)(H,36,39)(H,37,44)(H,38,45)(H,42,43)/t22-,27-,28-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	11	-47.3	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Evaluated for the dissociation constant for the inhibition of caspase-3				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-7 (Homo sapiens (Human))	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Evaluated for kinetic dissociation constant (kon) for the inhibition of caspase-7				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12066 ((3S)-3-({2-[4-(butan-2-yl)-3-methylphenoxy]benzene...) Show SMILES CCC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C |r| Show InChI InChI=1S/C21H25NO6S/c1-4-14(2)18-10-9-17(11-15(18)3)28-19-7-5-6-8-20(19)29(26,27)22-16(13-23)12-21(24)25/h5-11,13-14,16,22H,4,12H2,1-3H3,(H,24,25)/t14?,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	-41.6	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12064 ((3S)-3-({2-[3-methyl-4-(propan-2-yl)phenoxy]benzen...) Show SMILES CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C |r| Show InChI InChI=1S/C20H23NO6S/c1-13(2)17-9-8-16(10-14(17)3)27-18-6-4-5-7-19(18)28(25,26)21-15(12-22)11-20(23)24/h4-10,12-13,15,21H,11H2,1-3H3,(H,23,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	-41.3	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091584 (3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C29H30Cl2N4O8/c1-15(2)24(35-29(41)42-14-17-8-5-4-6-9-17)27(40)33-16(3)26(39)34-20(12-22(36)37)25(38)28-32-13-21(43-28)23-18(30)10-7-11-19(23)31/h4-11,13,15-16,20,24H,12,14H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)(H,36,37)/t16-,20-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091587 (3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1ccccc1 Show InChI InChI=1S/C29H32N4O8/c1-17(2)24(33-29(39)40-16-19-10-6-4-7-11-19)27(38)31-18(3)26(37)32-21(14-23(34)35)25(36)28-30-15-22(41-28)20-12-8-5-9-13-20/h4-13,15,17-18,21,24H,14,16H2,1-3H3,(H,31,38)(H,32,37)(H,33,39)(H,34,35)/t18-,21-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091565 (3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc(o1)-c1ccccc1Cl Show InChI InChI=1S/C29H31ClN4O8/c1-16(2)24(34-29(40)41-15-18-9-5-4-6-10-18)27(39)32-17(3)26(38)33-21(13-23(35)36)25(37)28-31-14-22(42-28)19-11-7-8-12-20(19)30/h4-12,14,16-17,21,24H,13,15H2,1-3H3,(H,32,39)(H,33,38)(H,34,40)(H,35,36)/t17-,21-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12070 ((3S)-4-oxo-3-{[2-(4-phenylphenoxy)benzene]sulfonam...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)-c1ccccc1)C=O |r| Show InChI InChI=1S/C22H19NO6S/c24-15-18(14-22(25)26)23-30(27,28)21-9-5-4-8-20(21)29-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13,15,18,23H,14H2,(H,25,26)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	290	-38.8	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12062 ((3S)-4-oxo-3-({2-[3-(propan-2-yl)phenoxy]benzene}s...) Show SMILES CC(C)c1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1 |r| Show InChI InChI=1S/C19H21NO6S/c1-13(2)14-6-5-7-16(10-14)26-17-8-3-4-9-18(17)27(24,25)20-15(12-21)11-19(22)23/h3-10,12-13,15,20H,11H2,1-2H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	410	-37.9	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12058 ((3S)-3-{[2-(3-methylphenoxy)benzene]sulfonamido}-4...) Show SMILES Cc1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1 |r| Show InChI InChI=1S/C17H17NO6S/c1-12-5-4-6-14(9-12)24-15-7-2-3-8-16(15)25(22,23)18-13(11-19)10-17(20)21/h2-9,11,13,18H,10H2,1H3,(H,20,21)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	430	-37.8	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12067 ((3S)-4-oxo-3-({2-[4-(pentan-3-yl)phenoxy]benzene}s...) Show SMILES CCC(CC)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r| Show InChI InChI=1S/C21H25NO6S/c1-3-15(4-2)16-9-11-18(12-10-16)28-19-7-5-6-8-20(19)29(26,27)22-17(14-23)13-21(24)25/h5-12,14-15,17,22H,3-4,13H2,1-2H3,(H,24,25)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	440	-37.7	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12061 ((3S)-4-oxo-3-{[2-(3,4,5-trimethylphenoxy)benzene]s...) Show SMILES Cc1cc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc(C)c1C |r| Show InChI InChI=1S/C19H21NO6S/c1-12-8-16(9-13(2)14(12)3)26-17-6-4-5-7-18(17)27(24,25)20-15(11-21)10-19(22)23/h4-9,11,15,20H,10H2,1-3H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	450	-37.7	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12065 ((3S)-3-({2-[4-(butan-2-yl)phenoxy]benzene}sulfonam...) Show SMILES CCC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r| Show InChI InChI=1S/C20H23NO6S/c1-3-14(2)15-8-10-17(11-9-15)27-18-6-4-5-7-19(18)28(25,26)21-16(13-22)12-20(23)24/h4-11,13-14,16,21H,3,12H2,1-2H3,(H,23,24)/t14?,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	490	-37.5	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12063 ((3S)-4-oxo-3-({2-[4-(propan-2-yl)phenoxy]benzene}s...) Show SMILES CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r| Show InChI InChI=1S/C19H21NO6S/c1-13(2)14-7-9-16(10-8-14)26-17-5-3-4-6-18(17)27(24,25)20-15(12-21)11-19(22)23/h3-10,12-13,15,20H,11H2,1-2H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	620	-36.9	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12068 ((3S)-3-{[2-(4-cyclopentylphenoxy)benzene]sulfonami...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)C1CCCC1)C=O |r| Show InChI InChI=1S/C21H23NO6S/c23-14-17(13-21(24)25)22-29(26,27)20-8-4-3-7-19(20)28-18-11-9-16(10-12-18)15-5-1-2-6-15/h3-4,7-12,14-15,17,22H,1-2,5-6,13H2,(H,24,25)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	880	-36.0	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12069 ((3S)-3-{[2-(4-cyclohexylphenoxy)benzene]sulfonamid...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)C1CCCCC1)C=O |r| Show InChI InChI=1S/C22H25NO6S/c24-15-18(14-22(25)26)23-30(27,28)21-9-5-4-8-20(21)29-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h4-5,8-13,15-16,18,23H,1-3,6-7,14H2,(H,25,26)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	900	-35.9	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12060 ((3S)-3-{[2-(2,3-dimethylphenoxy)benzene]sulfonamid...) Show SMILES Cc1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1C |r| Show InChI InChI=1S/C18H19NO6S/c1-12-6-5-8-15(13(12)2)25-16-7-3-4-9-17(16)26(23,24)19-14(11-20)10-18(21)22/h3-9,11,14,19H,10H2,1-2H3,(H,21,22)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	-35.6	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12059 ((3S)-3-{[2-(4-methylphenoxy)benzene]sulfonamido}-4...) Show SMILES Cc1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r| Show InChI InChI=1S/C17H17NO6S/c1-12-6-8-14(9-7-12)24-15-4-2-3-5-16(15)25(22,23)18-13(11-19)10-17(20)21/h2-9,11,13,18H,10H2,1H3,(H,20,21)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	-35.4	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12055 ((3S)-4-oxo-3-[(2-phenylbenzene)sulfonamido]butanoi...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1ccccc1)C=O |r| Show InChI InChI=1S/C16H15NO5S/c18-11-13(10-16(19)20)17-23(21,22)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-9,11,13,17H,10H2,(H,19,20)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	-34.4	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12055 ((3S)-4-oxo-3-[(2-phenylbenzene)sulfonamido]butanoi...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1ccccc1)C=O |r| Show InChI InChI=1S/C16H15NO5S/c18-11-13(10-16(19)20)17-23(21,22)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-9,11,13,17H,10H2,(H,19,20)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	-34.4	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12049 ((3S)-3-[(3-methyl-2-phenylbenzene)sulfonamido]-4-o...) Show SMILES Cc1cccc(c1-c1ccccc1)S(=O)(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C17H17NO5S/c1-12-6-5-9-15(17(12)13-7-3-2-4-8-13)24(22,23)18-14(11-19)10-16(20)21/h2-9,11,14,18H,10H2,1H3,(H,20,21)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	-34.0	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12054 ((3S)-3-{[2-(3-acetamidophenyl)benzene]sulfonamido}...) Show SMILES CC(=O)Nc1cccc(c1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C18H18N2O6S/c1-12(22)19-14-6-4-5-13(9-14)16-7-2-3-8-17(16)27(25,26)20-15(11-21)10-18(23)24/h2-9,11,15,20H,10H2,1H3,(H,19,22)(H,23,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	-33.5	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12056 ((3S)-4-oxo-3-[(2-phenoxybenzene)sulfonamido]butano...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccccc1)C=O |r| Show InChI InChI=1S/C16H15NO6S/c18-11-12(10-16(19)20)17-24(21,22)15-9-5-4-8-14(15)23-13-6-2-1-3-7-13/h1-9,11-12,17H,10H2,(H,19,20)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	-33.4	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12057 ((3S)-3-{[2-(2-methylphenoxy)benzene]sulfonamido}-4...) Show SMILES Cc1ccccc1Oc1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C17H17NO6S/c1-12-6-2-3-7-14(12)24-15-8-4-5-9-16(15)25(22,23)18-13(11-19)10-17(20)21/h2-9,11,13,18H,10H2,1H3,(H,20,21)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	-32.8	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12051 ((3S)-3-{[2-(3-methylphenyl)benzene]sulfonamido}-4-...) Show SMILES Cc1cccc(c1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C17H17NO5S/c1-12-5-4-6-13(9-12)15-7-2-3-8-16(15)24(22,23)18-14(11-19)10-17(20)21/h2-9,11,14,18H,10H2,1H3,(H,20,21)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12071 (4-[4-(2-{[(2S)-1-carboxy-3-oxopropan-2-yl]sulfamoy...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)-c1ccc(cc1)C(O)=O)C=O |r| Show InChI InChI=1S/C23H19NO8S/c25-14-18(13-22(26)27)24-33(30,31)21-4-2-1-3-20(21)32-19-11-9-16(10-12-19)15-5-7-17(8-6-15)23(28)29/h1-12,14,18,24H,13H2,(H,26,27)(H,28,29)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	-31.9	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091582 (3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C29H33N5O7/c1-17(2)24(34-29(40)41-16-19-10-6-4-7-11-19)28(39)31-18(3)27(38)33-21(14-23(35)36)25(37)26-30-15-22(32-26)20-12-8-5-9-13-20/h4-13,15,17-18,21,24H,14,16H2,1-3H3,(H,30,32)(H,31,39)(H,33,38)(H,34,40)(H,35,36)/t18-,21-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12050 ((3S)-3-{[2-(2-methylphenyl)benzene]sulfonamido}-4-...) Show SMILES Cc1ccccc1-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C17H17NO5S/c1-12-6-2-3-7-14(12)15-8-4-5-9-16(15)24(22,23)18-13(11-19)10-17(20)21/h2-9,11,13,18H,10H2,1H3,(H,20,21)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.80E+3	-30.7	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12053 ((3S)-3-{[2-(naphthalen-1-yl)benzene]sulfonamido}-4...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1cccc2ccccc12)C=O |r| Show InChI InChI=1S/C20H17NO5S/c22-13-15(12-20(23)24)21-27(25,26)19-11-4-3-9-18(19)17-10-5-7-14-6-1-2-8-16(14)17/h1-11,13,15,21H,12H2,(H,23,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.90E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12052 ((3S)-3-{[2-(4-methylphenyl)benzene]sulfonamido}-4-...) Show SMILES Cc1ccc(cc1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C17H17NO5S/c1-12-6-8-13(9-7-12)15-4-2-3-5-16(15)24(22,23)18-14(11-19)10-17(20)21/h2-9,11,14,18H,10H2,1H3,(H,20,21)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.20E+3	-30.5	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091571 (3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncc[nH]1 Show InChI InChI=1S/C23H29N5O7/c1-13(2)18(28-23(34)35-12-15-7-5-4-6-8-15)22(33)26-14(3)21(32)27-16(11-17(29)30)19(31)20-24-9-10-25-20/h4-10,13-14,16,18H,11-12H2,1-3H3,(H,24,25)(H,26,33)(H,27,32)(H,28,34)(H,29,30)/t14-,16-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12047 ((3S)-3-benzenesulfonamido-4-oxobutanoic acid | (S)...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)C=O |r| Show InChI InChI=1S/C10H11NO5S/c12-7-8(6-10(13)14)11-17(15,16)9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,13,14)/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40E+3	-29.8	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091583 (3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1nccs1 Show InChI InChI=1S/C23H28N4O7S/c1-13(2)18(27-23(33)34-12-15-7-5-4-6-8-15)21(32)25-14(3)20(31)26-16(11-17(28)29)19(30)22-24-9-10-35-22/h4-10,13-14,16,18H,11-12H2,1-3H3,(H,25,32)(H,26,31)(H,27,33)(H,28,29)/t14-,16-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091578 (3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1ncco1 Show InChI InChI=1S/C23H28N4O8/c1-13(2)18(27-23(33)35-12-15-7-5-4-6-8-15)21(32)25-14(3)20(31)26-16(11-17(28)29)19(30)22-24-9-10-34-22/h4-10,13-14,16,18H,11-12H2,1-3H3,(H,25,32)(H,26,31)(H,27,33)(H,28,29)/t14-,16-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091563 (3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)c1cocn1 Show InChI InChI=1S/C23H28N4O8/c1-13(2)19(27-23(33)35-10-15-7-5-4-6-8-15)22(32)25-14(3)21(31)26-16(9-18(28)29)20(30)17-11-34-12-24-17/h4-8,11-14,16,19H,9-10H2,1-3H3,(H,25,32)(H,26,31)(H,27,33)(H,28,29)/t14-,16-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12045 ((3S)-3-benzenesulfonamido-4-oxo-9-phenylnonanoic a...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C21H25NO5S/c23-20(15-9-2-6-12-17-10-4-1-5-11-17)19(16-21(24)25)22-28(26,27)18-13-7-3-8-14-18/h1,3-5,7-8,10-11,13-14,19,22H,2,6,9,12,15-16H2,(H,24,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+4	-27.4	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12046 ((3S)-3-benzenesulfonamido-4-oxo-5-[(3-phenylpropyl...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)CSCCCc1ccccc1 |r| Show InChI InChI=1S/C20H23NO5S2/c22-19(15-27-13-7-10-16-8-3-1-4-9-16)18(14-20(23)24)21-28(25,26)17-11-5-2-6-12-17/h1-6,8-9,11-12,18,21H,7,10,13-15H2,(H,23,24)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+4	-27.4	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12044 ((3S)-3-{[(benzyloxy)carbonyl]amino}-4-oxo-5-[(3-ph...) Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CSCCCc1ccccc1 |r| Show InChI InChI=1S/C22H25NO5S/c24-20(16-29-13-7-12-17-8-3-1-4-9-17)19(14-21(25)26)23-22(27)28-15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,23,27)(H,25,26)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.50E+4	-27.3	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12043 ((3S)-3-{[(benzyloxy)carbonyl]amino}-4-oxo-9-phenyl...) Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C23H27NO5/c25-21(15-9-3-6-12-18-10-4-1-5-11-18)20(16-22(26)27)24-23(28)29-17-19-13-7-2-8-14-19/h1-2,4-5,7-8,10-11,13-14,20H,3,6,9,12,15-17H2,(H,24,28)(H,26,27)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.19E+5	-23.3	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091581 (3-(2-{2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propio...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CC12CCC(CC1=O)C2(O)O |TLB:51:50:52:46.47| Show InChI InChI=1S/C34H47N5O15S/c1-17(2)29(39-30(48)22(8-9-27(44)45)37-31(49)24(36-18(3)40)12-19-4-6-21(41)7-5-19)32(50)38-23(14-28(46)47)25(42)15-35-55(53,54)16-33-11-10-20(13-26(33)43)34(33,51)52/h4-7,17,20,22-24,29,35,41,51-52H,8-16H2,1-3H3,(H,36,40)(H,37,49)(H,38,50)(H,39,48)(H,44,45)(H,46,47)/t20?,22-,23?,24-,29-,33?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091567 (3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...) Show SMILES CC[C@@H](C(=O)NC(CC(O)=O)C(=O)CNCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C33H34N4O6/c1-2-28(32(42)36-27(20-30(39)40)29(38)21-34-17-16-22-9-4-3-5-10-22)37-18-8-13-26(33(37)43)35-31(41)25-15-14-23-11-6-7-12-24(23)19-25/h3-15,18-19,27-28,34H,2,16-17,20-21H2,1H3,(H,35,41)(H,36,42)(H,39,40)/t27?,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091575 (5-(7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1-ylmetha...) Show SMILES CC(C)[C@H](CC(=O)NCCc1cn(C)c2ccccc12)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C |TLB:42:41:43:37.38| Show InChI InChI=1S/C33H46N4O8S/c1-20(2)24(15-29(40)34-13-11-21-18-37(5)26-9-7-6-8-23(21)26)31(43)36-25(16-30(41)42)27(38)17-35-46(44,45)19-33-12-10-22(14-28(33)39)32(33,3)4/h6-9,18,20,22,24-25,35H,10-17,19H2,1-5H3,(H,34,40)(H,36,43)(H,41,42)/t22?,24-,25?,33?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091566 (3-(2-{2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propio...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C=O Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16?,18-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Dissociation constant for inhibition of caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091569 (3-{[9-(2-Fluoro-benzoylamino)-6,10-dioxo-octahydro...) Show SMILES OC(=O)C[C@H](NC(=O)C1CCCN2N1C(=O)C(CCC2=O)NC(=O)c1ccccc1F)C=O Show InChI InChI=1S/C21H23FN4O7/c22-14-5-2-1-4-13(14)19(31)24-15-7-8-17(28)25-9-3-6-16(26(25)21(15)33)20(32)23-12(11-27)10-18(29)30/h1-2,4-5,11-12,15-16H,3,6-10H2,(H,23,32)(H,24,31)(H,29,30)/t12-,15?,16?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Dissociation constant for inhibition of caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091580 (3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COc1cc2ccccc2cc1C(N)=O Show InChI InChI=1S/C32H36N4O9/c1-18(2)28(36-32(43)45-16-20-9-5-4-6-10-20)31(42)34-19(3)30(41)35-24(15-27(38)39)25(37)17-44-26-14-22-12-8-7-11-21(22)13-23(26)29(33)40/h4-14,18-19,24,28H,15-17H2,1-3H3,(H2,33,40)(H,34,42)(H,35,41)(H,36,43)(H,38,39)/t19-,24?,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091572 (3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC(=O)CCc1ccccc1 Show InChI InChI=1S/C30H37N3O9/c1-19(2)27(33-30(40)42-17-22-12-8-5-9-13-22)29(39)31-20(3)28(38)32-23(16-25(35)36)24(34)18-41-26(37)15-14-21-10-6-4-7-11-21/h4-13,19-20,23,27H,14-18H2,1-3H3,(H,31,39)(H,32,38)(H,33,40)(H,35,36)/t20-,23?,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091576 (4-Benzooxazol-2-yl-3-{2-[(2-benzoylamino-3-methyl-...) Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(CC(=O)NC(CC(O)=O)C(=O)c1nc2ccccc2o1)C1Cc2ccccc2C1 Show InChI InChI=1S/C34H34N4O7/c1-20(2)30(37-32(43)21-10-4-3-5-11-21)34(44)38(24-16-22-12-6-7-13-23(22)17-24)19-28(39)35-26(18-29(40)41)31(42)33-36-25-14-8-9-15-27(25)45-33/h3-15,20,24,26,30H,16-19H2,1-2H3,(H,35,39)(H,37,43)(H,40,41)/t26?,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091579 (3-[(1-{2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propi...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N1CC(O)C[C@H]1C(=O)NC(CC(O)=O)C=O Show InChI InChI=1S/C25H34N4O9/c1-13(2)22(28-23(36)19(26-14(3)31)8-15-4-6-17(32)7-5-15)25(38)29-11-18(33)10-20(29)24(37)27-16(12-30)9-21(34)35/h4-7,12-13,16,18-20,22,32-33H,8-11H2,1-3H3,(H,26,31)(H,27,37)(H,28,36)(H,34,35)/t16?,18?,19-,20-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Dissociation constant for inhibition of caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50091561 (3-(2-{2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propio...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C32H41N5O9/c1-18(2)27(37-30(44)25(35-20(4)38)16-22-10-12-23(39)13-11-22)31(45)34-19(3)29(43)36-24(17-26(40)41)28(42)32(46)33-15-14-21-8-6-5-7-9-21/h5-13,18-19,24-25,27,39H,14-17H2,1-4H3,(H,33,46)(H,34,45)(H,35,38)(H,36,43)(H,37,44)(H,40,41)/t19-,24-,25-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
BASF Bioresearch Corporation Curated by ChEMBL					Assay Description Dissociation constant for inhibition of caspase-1				J Med Chem 43: 3351-71 (2000) BindingDB Entry DOI: 10.7270/Q2416W98
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 177 total )  |  Next  |  Last  >>

Jump to: