Compile Data Set for Download or QSAR

Found 267 hits with Last Name = 'fahr' and Initial = 'b'   

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))	BDBM50176493 ((S)-3-((S)-2-((S)-3-methyl-2-(4-(quinoxalin-2-ylam...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C27H30N6O6/c1-15(2)24(27(39)29-16(3)25(37)31-19(14-34)12-23(35)36)33-26(38)17-8-10-18(11-9-17)30-22-13-28-20-6-4-5-7-21(20)32-22/h4-11,13-16,19,24H,12H2,1-3H3,(H,29,39)(H,30,32)(H,31,37)(H,33,38)(H,35,36)/t16-,19-,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	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176494 ((3S)-3-(6-(3-methyl-4-(quinoxalin-2-ylamino)benzam...) Show SMILES Cc1cc(ccc1Nc1cnc2ccccc2n1)C(=O)NCCCCC(C(=O)N[C@@H](CC(O)=O)C=O)c1cccs1 Show InChI InChI=1S/C30H31N5O5S/c1-19-15-20(11-12-23(19)34-27-17-32-24-8-2-3-9-25(24)35-27)29(39)31-13-5-4-7-22(26-10-6-14-41-26)30(40)33-21(18-36)16-28(37)38/h2-3,6,8-12,14-15,17-18,21-22H,4-5,7,13,16H2,1H3,(H,31,39)(H,33,40)(H,34,35)(H,37,38)/t21-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176496 ((3S)-3-(6-(4-(6-methylquinoxalin-2-ylamino)benzami...) Show SMILES Cc1ccc2nc(Nc3ccc(cc3)C(=O)NCCCCC(C(=O)N[C@@H](CC(O)=O)C=O)c3cccs3)cnc2c1 Show InChI InChI=1S/C30H31N5O5S/c1-19-7-12-24-25(15-19)32-17-27(35-24)33-21-10-8-20(9-11-21)29(39)31-13-3-2-5-23(26-6-4-14-41-26)30(40)34-22(18-36)16-28(37)38/h4,6-12,14-15,17-18,22-23H,2-3,5,13,16H2,1H3,(H,31,39)(H,33,35)(H,34,40)(H,37,38)/t22-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176495 ((3S)-4-oxo-3-(2-phenyl-6-(4-(quinoxalin-2-ylamino)...) Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)c1ccccc1)C=O Show InChI InChI=1S/C31H31N5O5/c37-20-24(18-29(38)39)35-31(41)25(21-8-2-1-3-9-21)10-6-7-17-32-30(40)22-13-15-23(16-14-22)34-28-19-33-26-11-4-5-12-27(26)36-28/h1-5,8-9,11-16,19-20,24-25H,6-7,10,17-18H2,(H,32,40)(H,34,36)(H,35,41)(H,38,39)/t24-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176510 ((S)-4-oxo-3-(2-((4-(quinoxalin-2-ylamino)benzamido...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)nc1)C=O |r| Show InChI InChI=1S/C26H22N6O5/c33-15-20(11-24(34)35)31-26(37)17-7-10-19(27-12-17)13-29-25(36)16-5-8-18(9-6-16)30-23-14-28-21-3-1-2-4-22(21)32-23/h1-10,12,14-15,20H,11,13H2,(H,29,36)(H,30,32)(H,31,37)(H,34,35)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-1 (Homo sapiens (Human))	BDBM50176500 ((3S)-4-oxo-3-(6-(4-(quinoxalin-2-ylamino)benzamido...) Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)c1cccs1)C=O Show InChI InChI=1S/C29H29N5O5S/c35-18-21(16-27(36)37)33-29(39)22(25-9-5-15-40-25)6-3-4-14-30-28(38)19-10-12-20(13-11-19)32-26-17-31-23-7-1-2-8-24(23)34-26/h1-2,5,7-13,15,17-18,21-22H,3-4,6,14,16H2,(H,30,38)(H,32,34)(H,33,39)(H,36,37)/t21-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176519 ((S)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...) 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 Show InChI InChI=1S/C20H27N3O7/c1-12(2)17(23-20(29)30-11-14-7-5-4-6-8-14)19(28)21-13(3)18(27)22-15(10-24)9-16(25)26/h4-8,10,12-13,15,17H,9,11H2,1-3H3,(H,21,28)(H,22,27)(H,23,29)(H,25,26)/t13-,15-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176509 ((3S)-3-(2-(2-fluorophenyl)-6-(4-(quinoxalin-2-ylam...) Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)c1ccccc1F)C=O Show InChI InChI=1S/C31H30FN5O5/c32-25-9-2-1-7-23(25)24(31(42)36-22(19-38)17-29(39)40)8-5-6-16-33-30(41)20-12-14-21(15-13-20)35-28-18-34-26-10-3-4-11-27(26)37-28/h1-4,7,9-15,18-19,22,24H,5-6,8,16-17H2,(H,33,41)(H,35,37)(H,36,42)(H,39,40)/t22-,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	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176505 ((3S)-3-(2-ethyl-6-(4-(quinoxalin-2-ylamino)benzami...) Show SMILES CCC(CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C27H31N5O5/c1-2-18(27(37)31-21(17-33)15-25(34)35)7-5-6-14-28-26(36)19-10-12-20(13-11-19)30-24-16-29-22-8-3-4-9-23(22)32-24/h3-4,8-13,16-18,21H,2,5-7,14-15H2,1H3,(H,28,36)(H,30,32)(H,31,37)(H,34,35)/t18?,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM226 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	20	-43.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM223 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	20	-43.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM263 ((S)-5-({5-[1-Carboxymethyl-2-oxo-3-(pyridin-3-ylme...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1cccnc1 |r| Show InChI InChI=1S/C24H23N3O9S3/c28-19-5-4-16(8-17(19)24(33)34)39(35,36)26-11-15-3-6-21(38-15)23(32)27-18(9-22(30)31)20(29)13-37-12-14-2-1-7-25-10-14/h1-8,10,18,26,28H,9,11-13H2,(H,27,32)(H,30,31)(H,33,34)/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	20	-43.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM280 ((S)-5-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-p...) Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O |r| Show InChI InChI=1S/C17H16N4O9S/c22-8-10(3-15(24)25)21-16(26)9-5-18-14(19-6-9)7-20-31(29,30)11-1-2-13(23)12(4-11)17(27)28/h1-2,4-6,8,10,20,23H,3,7H2,(H,21,26)(H,24,25)(H,27,28)/t10-/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	20	-43.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM224 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	30	-42.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM222 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	30	-42.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM264 ((S)-5-({5-[1-Carboxymethyl-2-oxo-3-(pyridin-4-ylme...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccncc1 |r| Show InChI InChI=1S/C24H23N3O9S3/c28-19-3-2-16(9-17(19)24(33)34)39(35,36)26-11-15-1-4-21(38-15)23(32)27-18(10-22(30)31)20(29)13-37-12-14-5-7-25-8-6-14/h1-9,18,26,28H,10-13H2,(H,27,32)(H,30,31)(H,33,34)/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	30	-42.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176508 ((S)-4-oxo-3-(2-((4-(quinoxalin-2-ylamino)benzamido...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)s1)C=O Show InChI InChI=1S/C25H21N5O5S/c31-14-17(11-23(32)33)29-25(35)21-10-9-18(36-21)12-27-24(34)15-5-7-16(8-6-15)28-22-13-26-19-3-1-2-4-20(19)30-22/h1-10,13-14,17H,11-12H2,(H,27,34)(H,28,30)(H,29,35)(H,32,33)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM227 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	40	-42.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176502 ((3S)-4-oxo-3-(6-(4-(quinoxalin-2-yloxy)benzamido)-...) Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Oc2cnc3ccccc3n2)cc1)c1cccs1)C=O Show InChI InChI=1S/C29H28N4O6S/c34-18-20(16-27(35)36)32-29(38)22(25-9-5-15-40-25)6-3-4-14-30-28(37)19-10-12-21(13-11-19)39-26-17-31-23-7-1-2-8-24(23)33-26/h1-2,5,7-13,15,17-18,20,22H,3-4,6,14,16H2,(H,30,37)(H,32,38)(H,35,36)/t20-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM221 (5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals									J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM225 ((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176504 ((3S)-3-(6-(4-(6-chloropyrazin-2-ylamino)benzamido)...) Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Nc2cncc(Cl)n2)cc1)c1cccs1)C=O Show InChI InChI=1S/C25H26ClN5O5S/c26-21-13-27-14-22(31-21)29-17-8-6-16(7-9-17)24(35)28-10-2-1-4-19(20-5-3-11-37-20)25(36)30-18(15-32)12-23(33)34/h3,5-9,11,13-15,18-19H,1-2,4,10,12H2,(H,28,35)(H,29,31)(H,30,36)(H,33,34)/t18-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM232 ((S)-5-({3-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)on1)C(=O)CSCc1ccccc1Cl |r| Show InChI InChI=1S/C24H22ClN3O10S2/c25-17-4-2-1-3-13(17)11-39-12-21(30)18(9-22(31)32)27-23(33)19-7-14(38-28-19)10-26-40(36,37)15-5-6-20(29)16(8-15)24(34)35/h1-8,18,26,29H,9-12H2,(H,27,33)(H,31,32)(H,34,35)/t18-/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	60	-41.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM230 ((S)-5-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-t...) Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O |r| Show InChI InChI=1S/C16H15N3O9S2/c20-7-8(3-14(22)23)19-15(24)12-5-17-13(29-12)6-18-30(27,28)9-1-2-11(21)10(4-9)16(25)26/h1-2,4-5,7-8,18,21H,3,6H2,(H,19,24)(H,22,23)(H,25,26)/t8-/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	70	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10198 (5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...) Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1cccs1)C=O |r| Show InChI InChI=1S/C21H24N2O9S2/c24-12-13(10-19(26)27)23-20(28)15(18-5-3-9-33-18)4-1-2-8-22-34(31,32)14-6-7-17(25)16(11-14)21(29)30/h3,5-7,9,11-13,15,22,25H,1-2,4,8,10H2,(H,23,28)(H,26,27)(H,29,30)/t13-,15?/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	70	-40.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				Bioorg Med Chem Lett 13: 3651-5 (2003) Article DOI: 10.1016/j.bmcl.2003.08.024 BindingDB Entry DOI: 10.7270/Q2MK6B3T
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10193 (5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...) Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1cccc(Cl)c1)C=O |r| Show InChI InChI=1S/C23H25ClN2O9S/c24-15-5-3-4-14(10-15)18(22(31)26-16(13-27)11-21(29)30)6-1-2-9-25-36(34,35)17-7-8-20(28)19(12-17)23(32)33/h3-5,7-8,10,12-13,16,18,25,28H,1-2,6,9,11H2,(H,26,31)(H,29,30)(H,32,33)/t16-,18?/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	70	-40.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				Bioorg Med Chem Lett 13: 3651-5 (2003) Article DOI: 10.1016/j.bmcl.2003.08.024 BindingDB Entry DOI: 10.7270/Q2MK6B3T
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM223 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	90	-40.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM224 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	90	-40.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM229 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cn1)C(=O)CSCc1ccccc1Cl |r| Show InChI InChI=1S/C25H23ClN4O9S2/c26-18-4-2-1-3-14(18)12-40-13-22(32)19(8-23(33)34)30-24(35)20-11-27-15(9-28-20)10-29-41(38,39)16-5-6-21(31)17(7-16)25(36)37/h1-7,9,11,19,29,31H,8,10,12-13H2,(H,30,35)(H,33,34)(H,36,37)/t19-/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	90	-40.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM219 (5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...) Show SMILES CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	90	-40.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM222 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	90	-40.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10189 (5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...) Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1F)C=O |r| Show InChI InChI=1S/C23H25FN2O9S/c24-19-7-2-1-5-16(19)17(22(31)26-14(13-27)11-21(29)30)6-3-4-10-25-36(34,35)15-8-9-20(28)18(12-15)23(32)33/h1-2,5,7-9,12-14,17,25,28H,3-4,6,10-11H2,(H,26,31)(H,29,30)(H,32,33)/t14-,17?/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	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				Bioorg Med Chem Lett 13: 3651-5 (2003) Article DOI: 10.1016/j.bmcl.2003.08.024 BindingDB Entry DOI: 10.7270/Q2MK6B3T
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10196 (5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...) Show SMILES Cc1cccc(c1)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C24H28N2O9S/c1-15-5-4-6-16(11-15)19(23(31)26-17(14-27)12-22(29)30)7-2-3-10-25-36(34,35)18-8-9-21(28)20(13-18)24(32)33/h4-6,8-9,11,13-14,17,19,25,28H,2-3,7,10,12H2,1H3,(H,26,31)(H,29,30)(H,32,33)/t17-,19?/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	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				Bioorg Med Chem Lett 13: 3651-5 (2003) Article DOI: 10.1016/j.bmcl.2003.08.024 BindingDB Entry DOI: 10.7270/Q2MK6B3T
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10188 (5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...) Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1)C=O |r| Show InChI InChI=1S/C23H26N2O9S/c26-14-16(12-21(28)29)25-22(30)18(15-6-2-1-3-7-15)8-4-5-11-24-35(33,34)17-9-10-20(27)19(13-17)23(31)32/h1-3,6-7,9-10,13-14,16,18,24,27H,4-5,8,11-12H2,(H,25,30)(H,28,29)(H,31,32)/t16-,18?/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	100	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				Bioorg Med Chem Lett 13: 3651-5 (2003) Article DOI: 10.1016/j.bmcl.2003.08.024 BindingDB Entry DOI: 10.7270/Q2MK6B3T
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176513 ((3S)-4-oxo-3-(6-(4-(pyrazin-2-ylamino)benzamido)-2...) Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(Nc2cnccn2)cc1)c1cccs1)C=O Show InChI InChI=1S/C25H27N5O5S/c31-16-19(14-23(32)33)30-25(35)20(21-5-3-13-36-21)4-1-2-10-28-24(34)17-6-8-18(9-7-17)29-22-15-26-11-12-27-22/h3,5-9,11-13,15-16,19-20H,1-2,4,10,14H2,(H,27,29)(H,28,34)(H,30,35)(H,32,33)/t19-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176497 ((S)-4-oxo-3-(4-((4-(quinoxalin-2-ylamino)benzamido...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cc1)C=O Show InChI InChI=1S/C27H23N5O5/c33-16-21(13-25(34)35)31-27(37)19-7-5-17(6-8-19)14-29-26(36)18-9-11-20(12-10-18)30-24-15-28-22-3-1-2-4-23(22)32-24/h1-12,15-16,21H,13-14H2,(H,29,36)(H,30,32)(H,31,37)(H,34,35)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10199 (5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...) Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccsc1)C=O |r| Show InChI InChI=1S/C21H24N2O9S2/c24-11-14(9-19(26)27)23-20(28)16(13-6-8-33-12-13)3-1-2-7-22-34(31,32)15-4-5-18(25)17(10-15)21(29)30/h4-6,8,10-12,14,16,22,25H,1-3,7,9H2,(H,23,28)(H,26,27)(H,29,30)/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	-40.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				Bioorg Med Chem Lett 13: 3651-5 (2003) Article DOI: 10.1016/j.bmcl.2003.08.024 BindingDB Entry DOI: 10.7270/Q2MK6B3T
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10205 ((3S)-4-oxo-3-(6-{[3-(5-oxo-4,5-dihydro-1,2,4-oxadi...) Show SMILES OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1cccc(c1)-c1nc(=O)o[nH]1)c1ccccc1)C=O |r| Show InChI InChI=1S/C24H26N4O8S/c29-15-18(14-21(30)31)26-23(32)20(16-7-2-1-3-8-16)11-4-5-12-25-37(34,35)19-10-6-9-17(13-19)22-27-24(33)36-28-22/h1-3,6-10,13,15,18,20,25H,4-5,11-12,14H2,(H,26,32)(H,30,31)(H,27,28,33)/t18-,20?/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	-40.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				Bioorg Med Chem Lett 13: 3651-5 (2003) Article DOI: 10.1016/j.bmcl.2003.08.024 BindingDB Entry DOI: 10.7270/Q2MK6B3T
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50176498 ((S)-4-oxo-3-(2-(5-((4-(quinoxalin-2-ylamino)benzam...) Show SMILES OC(=O)C[C@H](NC(=O)Cc1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)s1)C=O Show InChI InChI=1S/C26H23N5O5S/c32-15-18(11-25(34)35)30-24(33)12-19-9-10-20(37-19)13-28-26(36)16-5-7-17(8-6-16)29-23-14-27-21-3-1-2-4-22(21)31-23/h1-10,14-15,18H,11-13H2,(H,28,36)(H,29,31)(H,30,33)(H,34,35)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-1 (Homo sapiens (Human))	BDBM50176512 ((S)-4-oxo-3-(2-((4-(quinoxalin-2-ylamino)benzamido...) Show SMILES OC(=O)C[C@H](NC(=O)c1csc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c1)C=O Show InChI InChI=1S/C25H21N5O5S/c31-13-18(10-23(32)33)29-25(35)16-9-19(36-14-16)11-27-24(34)15-5-7-17(8-6-15)28-22-12-26-20-3-1-2-4-21(20)30-22/h1-9,12-14,18H,10-11H2,(H,27,34)(H,28,30)(H,29,35)(H,32,33)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM225 ((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	120	-39.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM225 ((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	120	-39.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM222 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	120	-39.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM221 (5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	-39.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM226 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	130	-39.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM256 ((S)-5-[(Acetyl-{5-[1-carboxymethyl-3-(2-chloro-ben...) Show SMILES CC(=O)N(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O |r| Show InChI InChI=1S/C28H27ClN2O8S2/c1-16(32)31(12-17-6-8-23(33)20(10-17)28(38)39)13-19-7-9-25(41-19)27(37)30-22(11-26(35)36)24(34)15-40-14-18-4-2-3-5-21(18)29/h2-10,22,33H,11-15H2,1H3,(H,30,37)(H,35,36)(H,38,39)/t22-/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	140	-39.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM253 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)S(=O)(=O)c1ccc(O)c(c1)C(O)=O |r| Show InChI InChI=1S/C26H25ClN2O9S3/c1-29(41(37,38)17-7-8-21(30)18(10-17)26(35)36)12-16-6-9-23(40-16)25(34)28-20(11-24(32)33)22(31)14-39-13-15-4-2-3-5-19(15)27/h2-10,20,30H,11-14H2,1H3,(H,28,34)(H,32,33)(H,35,36)/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	140	-39.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM220 (5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1)C=O |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	150	-38.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM269 ((S)-3-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-p...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)C(O)=O)nc1)C=O |r| Show InChI InChI=1S/C18H17N3O8S/c22-10-14(7-16(23)24)21-17(25)12-4-5-13(19-8-12)9-20-30(28,29)15-3-1-2-11(6-15)18(26)27/h1-6,8,10,14,20H,7,9H2,(H,21,25)(H,23,24)(H,26,27)/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	160	-38.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals									J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM220 (5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1)C=O |r| Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	160	-38.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair

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