Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'schwecke' and Initial = 'wp'   

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))	BDBM50199766 (CHEMBL394351 | N-((S,Z)-1-((S)-1-((3S)-2-hydroxy-5...) Show SMILES C[C@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |w:31.35,c:4| Show InChI InChI=1S/C24H25N3O6/c1-14(21(29)26-19-13-20(28)33-24(19)32)27-11-5-4-8-18(23(27)31)25-22(30)17-10-9-15-6-2-3-7-16(15)12-17/h2-7,9-10,12,14,18-19,24,32H,8,11,13H2,1H3,(H,25,30)(H,26,29)/t14-,18-,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	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199749 (CHEMBL268772 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES COc1ccc(cc1)C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13| Show InChI InChI=1S/C32H32N4O8/c1-43-24-11-9-21(10-12-24)29(39)33-16-19-6-13-25(35-30(40)23-8-7-20-4-2-3-5-22(20)14-23)31(41)36(17-19)18-27(37)34-26-15-28(38)44-32(26)42/h2-12,14,25-26,32,42H,13,15-18H2,1H3,(H,33,39)(H,34,37)(H,35,40)/t25-,26-,32?/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	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199762 (CHEMBL411178 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES COc1cccc(c1)C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13| Show InChI InChI=1S/C32H32N4O8/c1-43-24-8-4-7-22(14-24)29(39)33-16-19-9-12-25(35-30(40)23-11-10-20-5-2-3-6-21(20)13-23)31(41)36(17-19)18-27(37)34-26-15-28(38)44-32(26)42/h2-11,13-14,25-26,32,42H,12,15-18H2,1H3,(H,33,39)(H,34,37)(H,35,40)/t25-,26-,32?/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	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199750 (CHEMBL243823 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES COc1ccccc1C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13| Show InChI InChI=1S/C32H32N4O8/c1-43-26-9-5-4-8-23(26)30(40)33-16-19-10-13-24(35-29(39)22-12-11-20-6-2-3-7-21(20)14-22)31(41)36(17-19)18-27(37)34-25-15-28(38)44-32(25)42/h2-12,14,24-25,32,42H,13,15-18H2,1H3,(H,33,40)(H,34,37)(H,35,39)/t24-,25-,32?/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	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199763 (CHEMBL397184 | N-((S,Z)-6-(benzamidomethyl)-1-(2-(...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNC(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:25| Show InChI InChI=1S/C31H30N4O7/c36-26(33-25-15-27(37)42-31(25)41)18-35-17-19(16-32-28(38)21-7-2-1-3-8-21)10-13-24(30(35)40)34-29(39)23-12-11-20-6-4-5-9-22(20)14-23/h1-12,14,24-25,31,41H,13,15-18H2,(H,32,38)(H,33,36)(H,34,39)/t24-,25-,31?/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	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199759 (CHEMBL411759 | N-((S,E)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNS(=O)(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:26| Show InChI InChI=1S/C30H30N4O8S/c35-26(32-25-15-27(36)42-30(25)39)18-34-17-19(16-31-43(40,41)23-8-2-1-3-9-23)10-13-24(29(34)38)33-28(37)22-12-11-20-6-4-5-7-21(20)14-22/h1-12,14,24-25,30-31,39H,13,15-18H2,(H,32,35)(H,33,37)/t24-,25-,30?/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	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199768 ((S)-3-((4S,7S,11aS,Z)-7-(isoquinoline-1-carboxamid...) Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)C=O |c:14| Show InChI InChI=1S/C25H26N4O7/c30-12-16(11-21(31)32)27-23(33)20-14-36-13-17-6-2-4-8-19(25(35)29(17)20)28-24(34)22-18-7-3-1-5-15(18)9-10-26-22/h1-5,7,9-10,12,16-17,19-20H,6,8,11,13-14H2,(H,27,33)(H,28,34)(H,31,32)/b4-2-/t16-,17-,19-,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	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199769 ((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...) Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12)C=O Show InChI InChI=1S/C24H25N5O7/c30-13-15(12-20(32)33)26-22(34)18-6-3-11-28-19(31)8-7-17(24(36)29(18)28)27-23(35)21-16-5-2-1-4-14(16)9-10-25-21/h1-2,4-5,9-10,13,15,17-18H,3,6-8,11-12H2,(H,26,34)(H,27,35)(H,32,33)/t15-,17-,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	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199755 ((S)-3-((3S,6S,10aR,Z)-6-(isoquinoline-1-carboxamid...) Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CC[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)C=O |c:13| Show InChI InChI=1S/C25H26N4O6/c30-14-16(13-21(31)32)27-23(33)20-10-9-17-6-2-4-8-19(25(35)29(17)20)28-24(34)22-18-7-3-1-5-15(18)11-12-26-22/h1-5,7,11-12,14,16-17,19-20H,6,8-10,13H2,(H,27,33)(H,28,34)(H,31,32)/b4-2-/t16-,17-,19-,20-/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	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199753 (CHEMBL411758 | N-((S,Z)-6-((benzylamino)methyl)-1-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNCc2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:24| Show InChI InChI=1S/C31H32N4O6/c36-27(33-26-15-28(37)41-31(26)40)19-35-18-21(17-32-16-20-6-2-1-3-7-20)10-13-25(30(35)39)34-29(38)24-12-11-22-8-4-5-9-23(22)14-24/h1-12,14,25-26,31-32,40H,13,15-19H2,(H,33,36)(H,34,38)/t25-,26-,31?/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	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199754 (CHEMBL244229 | N-((S,E)-6-(benzylthiomethyl)-1-(2-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CSCc2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:24| Show InChI InChI=1S/C31H31N3O6S/c35-27(32-26-15-28(36)40-31(26)39)17-34-16-21(19-41-18-20-6-2-1-3-7-20)10-13-25(30(34)38)33-29(37)24-12-11-22-8-4-5-9-23(22)14-24/h1-12,14,25-26,31,39H,13,15-19H2,(H,32,35)(H,33,37)/t25-,26-,31?/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	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199751 (CHEMBL397990 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |w:1.0,c:14| Show InChI InChI=1S/C20H20F3N3O6/c21-20(22,23)12-5-3-4-11(8-12)17(29)25-13-6-1-2-7-26(18(13)30)10-15(27)24-14-9-16(28)32-19(14)31/h1-5,8,13-14,19,31H,6-7,9-10H2,(H,24,27)(H,25,29)/t13-,14-,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	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199757 (CHEMBL242937 | N-((S,Z)-1-((R)-1-((3S)-2-hydroxy-5...) Show SMILES C[C@@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |w:31.35,c:4| Show InChI InChI=1S/C24H25N3O6/c1-14(21(29)26-19-13-20(28)33-24(19)32)27-11-5-4-8-18(23(27)31)25-22(30)17-10-9-15-6-2-3-7-16(15)12-17/h2-7,9-10,12,14,18-19,24,32H,8,11,13H2,1H3,(H,25,30)(H,26,29)/t14-,18+,19+,24?/m1/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	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199761 (CHEMBL242509 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:14| Show InChI InChI=1S/C23H23N3O6/c27-19(24-18-12-20(28)32-23(18)31)13-26-10-4-3-7-17(22(26)30)25-21(29)16-9-8-14-5-1-2-6-15(14)11-16/h1-6,8-9,11,17-18,23,31H,7,10,12-13H2,(H,24,27)(H,25,29)/t17-,18-,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	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199758 (2,5-dichloro-N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxote...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cc(Cl)ccc2Cl)C1=O |w:1.0,c:14| Show InChI InChI=1S/C19H19Cl2N3O6/c20-10-4-5-12(21)11(7-10)17(27)23-13-3-1-2-6-24(18(13)28)9-15(25)22-14-8-16(26)30-19(14)29/h1-2,4-5,7,13-14,19,29H,3,6,8-9H2,(H,22,25)(H,23,27)/t13-,14-,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	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199764 (CHEMBL242938 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES CC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:30.33,t:1| Show InChI InChI=1S/C24H25N3O6/c1-14-6-9-18(26-22(30)17-8-7-15-4-2-3-5-16(15)10-17)23(31)27(12-14)13-20(28)25-19-11-21(29)33-24(19)32/h2-8,10,18-19,24,32H,9,11-13H2,1H3,(H,25,28)(H,26,30)/t18-,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	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199767 (CHEMBL242510 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cc3ccccc3s2)C1=O |w:1.0,c:14| Show InChI InChI=1S/C21H21N3O6S/c25-17(22-14-10-18(26)30-21(14)29)11-24-8-4-3-6-13(20(24)28)23-19(27)16-9-12-5-1-2-7-15(12)31-16/h1-5,7,9,13-14,21,29H,6,8,10-11H2,(H,22,25)(H,23,27)/t13-,14-,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	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199756 (CHEMBL442714 | N-((S,E)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:31.34,t:2| Show InChI InChI=1S/C24H25N3O7/c28-13-14-5-8-18(26-22(31)17-7-6-15-3-1-2-4-16(15)9-17)23(32)27(11-14)12-20(29)25-19-10-21(30)34-24(19)33/h1-7,9,18-19,24,28,33H,8,10-13H2,(H,25,29)(H,26,31)/t18-,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	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199765 (CHEMBL396535 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2nccc3ccccc23)C1=O |w:1.0,c:14| Show InChI InChI=1S/C22H22N4O6/c27-17(24-16-11-18(28)32-22(16)31)12-26-10-4-3-7-15(21(26)30)25-20(29)19-14-6-2-1-5-13(14)8-9-23-19/h1-6,8-9,15-16,22,31H,7,10-12H2,(H,24,27)(H,25,29)/t15-,16-,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	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199760 (3-chloro-N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxotetrah...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cccc(Cl)c2)C1=O |w:1.0,c:14| Show InChI InChI=1S/C19H20ClN3O6/c20-12-5-3-4-11(8-12)17(26)22-13-6-1-2-7-23(18(13)27)10-15(24)21-14-9-16(25)29-19(14)28/h1-5,8,13-14,19,28H,6-7,9-10H2,(H,21,24)(H,22,26)/t13-,14-,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	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199748 (CHEMBL429646 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES COc1cccc(c1)C(=O)N[C@H]1CC=CCN(CC(=O)N[C@H]2CC(=O)OC2O)C1=O |w:26.28,c:14| Show InChI InChI=1S/C20H23N3O7/c1-29-13-6-4-5-12(9-13)18(26)22-14-7-2-3-8-23(19(14)27)11-16(24)21-15-10-17(25)30-20(15)28/h2-6,9,14-15,20,28H,7-8,10-11H2,1H3,(H,21,24)(H,22,26)/t14-,15-,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	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199770 (CHEMBL242299 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC\C=C/C[C@H](NC(=O)c2nccc3ccccc23)C1=O |w:1.0,c:15| Show InChI InChI=1S/C23H24N4O6/c28-18(25-17-12-19(29)33-23(17)32)13-27-11-5-1-2-8-16(22(27)31)26-21(30)20-15-7-4-3-6-14(15)9-10-24-20/h1-4,6-7,9-10,16-17,23,32H,5,8,11-13H2,(H,25,28)(H,26,30)/b2-1-/t16-,17-,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	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199759 (CHEMBL411759 | N-((S,E)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNS(=O)(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:26| Show InChI InChI=1S/C30H30N4O8S/c35-26(32-25-15-27(36)42-30(25)39)18-34-17-19(16-31-43(40,41)23-8-2-1-3-9-23)10-13-24(29(34)38)33-28(37)22-12-11-20-6-4-5-7-21(20)14-22/h1-12,14,24-25,30-31,39H,13,15-18H2,(H,32,35)(H,33,37)/t24-,25-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199766 (CHEMBL394351 | N-((S,Z)-1-((S)-1-((3S)-2-hydroxy-5...) Show SMILES C[C@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |w:31.35,c:4| Show InChI InChI=1S/C24H25N3O6/c1-14(21(29)26-19-13-20(28)33-24(19)32)27-11-5-4-8-18(23(27)31)25-22(30)17-10-9-15-6-2-3-7-16(15)12-17/h2-7,9-10,12,14,18-19,24,32H,8,11,13H2,1H3,(H,25,30)(H,26,29)/t14-,18-,19-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199752 (CHEMBL242511 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2ccccc2)C1=O |w:1.0,c:14| Show InChI InChI=1S/C19H21N3O6/c23-15(20-14-10-16(24)28-19(14)27)11-22-9-5-4-8-13(18(22)26)21-17(25)12-6-2-1-3-7-12/h1-7,13-14,19,27H,8-11H2,(H,20,23)(H,21,25)/t13-,14-,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	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199762 (CHEMBL411178 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES COc1cccc(c1)C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13| Show InChI InChI=1S/C32H32N4O8/c1-43-24-8-4-7-22(14-24)29(39)33-16-19-9-12-25(35-30(40)23-11-10-20-5-2-3-6-21(20)13-23)31(41)36(17-19)18-27(37)34-26-15-28(38)44-32(26)42/h2-11,13-14,25-26,32,42H,12,15-18H2,1H3,(H,33,39)(H,34,37)(H,35,40)/t25-,26-,32?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	448	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199749 (CHEMBL268772 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES COc1ccc(cc1)C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13| Show InChI InChI=1S/C32H32N4O8/c1-43-24-11-9-21(10-12-24)29(39)33-16-19-6-13-25(35-30(40)23-8-7-20-4-2-3-5-22(20)14-23)31(41)36(17-19)18-27(37)34-26-15-28(38)44-32(26)42/h2-12,14,25-26,32,42H,13,15-18H2,1H3,(H,33,39)(H,34,37)(H,35,40)/t25-,26-,32?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	471	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199757 (CHEMBL242937 | N-((S,Z)-1-((R)-1-((3S)-2-hydroxy-5...) Show SMILES C[C@@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |w:31.35,c:4| Show InChI InChI=1S/C24H25N3O6/c1-14(21(29)26-19-13-20(28)33-24(19)32)27-11-5-4-8-18(23(27)31)25-22(30)17-10-9-15-6-2-3-7-16(15)12-17/h2-7,9-10,12,14,18-19,24,32H,8,11,13H2,1H3,(H,25,30)(H,26,29)/t14-,18+,19+,24?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	537	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199758 (2,5-dichloro-N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxote...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cc(Cl)ccc2Cl)C1=O |w:1.0,c:14| Show InChI InChI=1S/C19H19Cl2N3O6/c20-10-4-5-12(21)11(7-10)17(27)23-13-3-1-2-6-24(18(13)28)9-15(25)22-14-8-16(26)30-19(14)29/h1-2,4-5,7,13-14,19,29H,3,6,8-9H2,(H,22,25)(H,23,27)/t13-,14-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	554	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199750 (CHEMBL243823 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES COc1ccccc1C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13| Show InChI InChI=1S/C32H32N4O8/c1-43-26-9-5-4-8-23(26)30(40)33-16-19-10-13-24(35-29(39)22-12-11-20-6-2-3-7-21(20)14-22)31(41)36(17-19)18-27(37)34-25-15-28(38)44-32(25)42/h2-12,14,24-25,32,42H,13,15-18H2,1H3,(H,33,40)(H,34,37)(H,35,39)/t24-,25-,32?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	887	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50199762 (CHEMBL411178 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES COc1cccc(c1)C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13| Show InChI InChI=1S/C32H32N4O8/c1-43-24-8-4-7-22(14-24)29(39)33-16-19-9-12-25(35-30(40)23-11-10-20-5-2-3-6-21(20)13-23)31(41)36(17-19)18-27(37)34-26-15-28(38)44-32(26)42/h2-11,13-14,25-26,32,42H,12,15-18H2,1H3,(H,33,39)(H,34,37)(H,35,40)/t25-,26-,32?/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	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 3				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199763 (CHEMBL397184 | N-((S,Z)-6-(benzamidomethyl)-1-(2-(...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNC(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:25| Show InChI InChI=1S/C31H30N4O7/c36-26(33-25-15-27(37)42-31(25)41)18-35-17-19(16-32-28(38)21-7-2-1-3-8-21)10-13-24(30(35)40)34-29(39)23-12-11-20-6-4-5-9-22(20)14-23/h1-12,14,24-25,31,41H,13,15-18H2,(H,32,38)(H,33,36)(H,34,39)/t24-,25-,31?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50199749 (CHEMBL268772 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES COc1ccc(cc1)C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13| Show InChI InChI=1S/C32H32N4O8/c1-43-24-11-9-21(10-12-24)29(39)33-16-19-6-13-25(35-30(40)23-8-7-20-4-2-3-5-22(20)14-23)31(41)36(17-19)18-27(37)34-26-15-28(38)44-32(26)42/h2-12,14,25-26,32,42H,13,15-18H2,1H3,(H,33,39)(H,34,37)(H,35,40)/t25-,26-,32?/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	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 3				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199760 (3-chloro-N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxotetrah...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cccc(Cl)c2)C1=O |w:1.0,c:14| Show InChI InChI=1S/C19H20ClN3O6/c20-12-5-3-4-11(8-12)17(26)22-13-6-1-2-7-23(18(13)27)10-15(24)21-14-9-16(25)29-19(14)28/h1-5,8,13-14,19,28H,6-7,9-10H2,(H,21,24)(H,22,26)/t13-,14-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199748 (CHEMBL429646 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES COc1cccc(c1)C(=O)N[C@H]1CC=CCN(CC(=O)N[C@H]2CC(=O)OC2O)C1=O |w:26.28,c:14| Show InChI InChI=1S/C20H23N3O7/c1-29-13-6-4-5-12(9-13)18(26)22-14-7-2-3-8-23(19(14)27)11-16(24)21-15-10-17(25)30-20(15)28/h2-6,9,14-15,20,28H,7-8,10-11H2,1H3,(H,21,24)(H,22,26)/t14-,15-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199767 (CHEMBL242510 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cc3ccccc3s2)C1=O |w:1.0,c:14| Show InChI InChI=1S/C21H21N3O6S/c25-17(22-14-10-18(26)30-21(14)29)11-24-8-4-3-6-13(20(24)28)23-19(27)16-9-12-5-1-2-7-15(12)31-16/h1-5,7,9,13-14,21,29H,6,8,10-11H2,(H,22,25)(H,23,27)/t13-,14-,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199754 (CHEMBL244229 | N-((S,E)-6-(benzylthiomethyl)-1-(2-...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CSCc2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:24| Show InChI InChI=1S/C31H31N3O6S/c35-27(32-26-15-28(36)40-31(26)39)17-34-16-21(19-41-18-20-6-2-1-3-7-20)10-13-25(30(34)38)33-29(37)24-12-11-22-8-4-5-9-23(22)14-24/h1-12,14,25-26,31,39H,13,15-19H2,(H,32,35)(H,33,37)/t25-,26-,31?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50199763 (CHEMBL397184 | N-((S,Z)-6-(benzamidomethyl)-1-(2-(...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNC(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:25| Show InChI InChI=1S/C31H30N4O7/c36-26(33-25-15-27(37)42-31(25)41)18-35-17-19(16-32-28(38)21-7-2-1-3-8-21)10-13-24(30(35)40)34-29(39)23-12-11-20-6-4-5-9-22(20)14-23/h1-12,14,24-25,31,41H,13,15-18H2,(H,32,38)(H,33,36)(H,34,39)/t24-,25-,31?/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	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 3				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199751 (CHEMBL397990 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |w:1.0,c:14| Show InChI InChI=1S/C20H20F3N3O6/c21-20(22,23)12-5-3-4-11(8-12)17(29)25-13-6-1-2-7-26(18(13)30)10-15(27)24-14-9-16(28)32-19(14)31/h1-5,8,13-14,19,31H,6-7,9-10H2,(H,24,27)(H,25,29)/t13-,14-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199756 (CHEMBL442714 | N-((S,E)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:31.34,t:2| Show InChI InChI=1S/C24H25N3O7/c28-13-14-5-8-18(26-22(31)17-7-6-15-3-1-2-4-16(15)9-17)23(32)27(11-14)12-20(29)25-19-10-21(30)34-24(19)33/h1-7,9,18-19,24,28,33H,8,10-13H2,(H,25,29)(H,26,31)/t18-,19-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199761 (CHEMBL242509 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:14| Show InChI InChI=1S/C23H23N3O6/c27-19(24-18-12-20(28)32-23(18)31)13-26-10-4-3-7-17(22(26)30)25-21(29)16-9-8-14-5-1-2-6-15(14)11-16/h1-6,8-9,11,17-18,23,31H,7,10,12-13H2,(H,24,27)(H,25,29)/t17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199764 (CHEMBL242938 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES CC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:30.33,t:1| Show InChI InChI=1S/C24H25N3O6/c1-14-6-9-18(26-22(30)17-8-7-15-4-2-3-5-16(15)10-17)23(31)27(12-14)13-20(28)25-19-11-21(29)33-24(19)32/h2-8,10,18-19,24,32H,9,11-13H2,1H3,(H,25,28)(H,26,30)/t18-,19-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199765 (CHEMBL396535 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2nccc3ccccc23)C1=O |w:1.0,c:14| Show InChI InChI=1S/C22H22N4O6/c27-17(24-16-11-18(28)32-22(16)31)12-26-10-4-3-7-15(21(26)30)25-20(29)19-14-6-2-1-5-13(14)8-9-23-19/h1-6,8-9,15-16,22,31H,7,10-12H2,(H,24,27)(H,25,29)/t15-,16-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50199750 (CHEMBL243823 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES COc1ccccc1C(=O)NCC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:41.45,t:13| Show InChI InChI=1S/C32H32N4O8/c1-43-26-9-5-4-8-23(26)30(40)33-16-19-10-13-24(35-29(39)22-12-11-20-6-2-3-7-21(20)14-22)31(41)36(17-19)18-27(37)34-25-15-28(38)44-32(25)42/h2-12,14,24-25,32,42H,13,15-18H2,1H3,(H,33,40)(H,34,37)(H,35,39)/t24-,25-,32?/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	n/a	n/a	3.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 3				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50199752 (CHEMBL242511 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2ccccc2)C1=O |w:1.0,c:14| Show InChI InChI=1S/C19H21N3O6/c23-15(20-14-10-16(24)28-19(14)27)11-22-9-5-4-8-13(18(22)26)21-17(25)12-6-2-1-3-7-12/h1-7,13-14,19,27H,8-11H2,(H,20,23)(H,21,25)/t13-,14-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 8				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50199759 (CHEMBL411759 | N-((S,E)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNS(=O)(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:26| Show InChI InChI=1S/C30H30N4O8S/c35-26(32-25-15-27(36)42-30(25)39)18-34-17-19(16-31-43(40,41)23-8-2-1-3-9-23)10-13-24(29(34)38)33-28(37)22-12-11-20-6-4-5-7-21(20)14-22/h1-12,14,24-25,30-31,39H,13,15-18H2,(H,32,35)(H,33,37)/t24-,25-,30?/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	n/a	n/a	6.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 3				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50199766 (CHEMBL394351 | N-((S,Z)-1-((S)-1-((3S)-2-hydroxy-5...) Show SMILES C[C@H](N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |w:31.35,c:4| Show InChI InChI=1S/C24H25N3O6/c1-14(21(29)26-19-13-20(28)33-24(19)32)27-11-5-4-8-18(23(27)31)25-22(30)17-10-9-15-6-2-3-7-16(15)12-17/h2-7,9-10,12,14,18-19,24,32H,8,11,13H2,1H3,(H,25,30)(H,26,29)/t14-,18-,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	n/a	n/a	7.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 3				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50199767 (CHEMBL242510 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2cc3ccccc3s2)C1=O |w:1.0,c:14| Show InChI InChI=1S/C21H21N3O6S/c25-17(22-14-10-18(26)30-21(14)29)11-24-8-4-3-6-13(20(24)28)23-19(27)16-9-12-5-1-2-7-15(12)31-16/h1-5,7,9,13-14,21,29H,6,8,10-11H2,(H,22,25)(H,23,27)/t13-,14-,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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 3				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50199765 (CHEMBL396535 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1CC=CC[C@H](NC(=O)c2nccc3ccccc23)C1=O |w:1.0,c:14| Show InChI InChI=1S/C22H22N4O6/c27-17(24-16-11-18(28)32-22(16)31)12-26-10-4-3-7-15(21(26)30)25-20(29)19-14-6-2-1-5-13(14)8-9-23-19/h1-6,8-9,15-16,22,31H,7,10-12H2,(H,24,27)(H,25,29)/t15-,16-,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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 3				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50199764 (CHEMBL242938 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo...) Show SMILES CC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:30.33,t:1| Show InChI InChI=1S/C24H25N3O6/c1-14-6-9-18(26-22(30)17-8-7-15-4-2-3-5-16(15)10-17)23(31)27(12-14)13-20(28)25-19-11-21(29)33-24(19)32/h2-8,10,18-19,24,32H,9,11-13H2,1H3,(H,25,28)(H,26,30)/t18-,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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase 3				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 61 total )  |  Next  |  Last  >>

Jump to: