Compile Data Set for Download or QSAR

Found 120 hits Enz. Inhib. hit(s) with all data for entry = 1263   

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-3 (Homo sapiens (Human))	BDBM10551 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-bromo-2-me...) Show SMILES COc1ccc(Br)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H31BrN2O7S/c1-15(2)23(29-26(35)24(33)18-11-17(27)9-10-21(18)36-3)25(34)28-19(12-22(31)32)20(30)14-37-13-16-7-5-4-6-8-16/h4-11,15,19,23-24,33H,12-14H2,1-3H3,(H,28,34)(H,29,35)(H,31,32)/t19-,23-,24?/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	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10554 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{1-[2-methoxy-5-...) Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 |r| Show InChI InChI=1S/C29H34N4O7S/c1-17(2)27(28(38)31-22(14-26(36)37)23(34)16-41-15-19-8-6-5-7-9-19)32-25(35)13-21-12-20(10-11-24(21)39-4)29-30-18(3)33-40-29/h5-12,17,22,27H,13-16H2,1-4H3,(H,31,38)(H,32,35)(H,36,37)/t22-,27-/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	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10555 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{2-hydroxy-2-[2-...) Show SMILES COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 |r| Show InChI InChI=1S/C29H34N4O8S/c1-16(2)25(27(38)31-21(13-24(35)36)22(34)15-42-14-18-8-6-5-7-9-18)32-28(39)26(37)20-12-19(10-11-23(20)40-4)29-30-17(3)33-41-29/h5-12,16,21,25-26,37H,13-15H2,1-4H3,(H,31,38)(H,32,39)(H,35,36)/t21-,25-,26?/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	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10552 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...) Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r| Show InChI InChI=1S/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/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	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10553 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-acetyl-2-m...) Show SMILES COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r| Show InChI InChI=1S/C28H34N2O8S/c1-16(2)25(30-28(37)26(35)20-12-19(17(3)31)10-11-23(20)38-4)27(36)29-21(13-24(33)34)22(32)15-39-14-18-8-6-5-7-9-18/h5-12,16,21,25-26,35H,13-15H2,1-4H3,(H,29,36)(H,30,37)(H,33,34)/t21-,25-,26?/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	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10556 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-hydroxy-2-(5-...) Show SMILES COc1ccc(I)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H31IN2O7S/c1-15(2)23(29-26(35)24(33)18-11-17(27)9-10-21(18)36-3)25(34)28-19(12-22(31)32)20(30)14-37-13-16-7-5-4-6-8-16/h4-11,15,19,23-24,33H,12-14H2,1-3H3,(H,28,34)(H,29,35)(H,31,32)/t19-,23-,24?/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	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10535 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-(5-bromo...) Show SMILES COc1ccc(Br)cc1[C@@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C29H33BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h1,6-8,10-14,18,21,23,27H,9,15-17H2,2-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23+,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10527 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-me...) Show SMILES COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H31BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20,25H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,25-/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	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10527 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-me...) Show SMILES COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H31BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20,25H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,25-/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	n/a	n/a	18	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10549 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(2,5-dimethox...) Show SMILES COc1ccc(OC)c(c1)C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C27H34N2O8S/c1-16(2)24(29-27(35)25(33)19-12-18(36-3)10-11-22(19)37-4)26(34)28-20(13-23(31)32)21(30)15-38-14-17-8-6-5-7-9-17/h5-12,16,20,24-25,33H,13-15H2,1-4H3,(H,28,34)(H,29,35)(H,31,32)/t20-,24-,25?/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	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10537 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-hydroxy-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C25H30N2O6S/c1-16(2)22(27-25(33)23(31)18-11-7-4-8-12-18)24(32)26-19(13-21(29)30)20(28)15-34-14-17-9-5-3-6-10-17/h3-12,16,19,22-23,31H,13-15H2,1-2H3,(H,26,32)(H,27,33)(H,29,30)/t19-,22-,23+/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	n/a	n/a	41	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10548 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(2,5-dimethox...) Show SMILES COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2)c1 |r| Show InChI InChI=1S/C27H34N2O7S/c1-17(2)26(29-24(31)13-19-12-20(35-3)10-11-23(19)36-4)27(34)28-21(14-25(32)33)22(30)16-37-15-18-8-6-5-7-9-18/h5-12,17,21,26H,13-16H2,1-4H3,(H,28,34)(H,29,31)(H,32,33)/t21-,26-/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	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10555 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{2-hydroxy-2-[2-...) Show SMILES COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 |r| Show InChI InChI=1S/C29H34N4O8S/c1-16(2)25(27(38)31-21(13-24(35)36)22(34)15-42-14-18-8-6-5-7-9-18)32-28(39)26(37)20-12-19(10-11-23(20)40-4)29-30-17(3)33-41-29/h5-12,16,21,25-26,37H,13-15H2,1-4H3,(H,31,38)(H,32,39)(H,35,36)/t21-,25-,26?/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	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10533 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo...) Show SMILES COc1ccc(Br)cc1[C@H](CC=C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C29H35BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h5-8,10-14,18,21,23,27H,1,9,15-17H2,2-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23-,27-/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	n/a	n/a	80	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10542 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-phe...) Show SMILES CC(C)[C@H](NC(=O)C(C)(O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H32N2O6S/c1-17(2)23(28-25(33)26(3,34)19-12-8-5-9-13-19)24(32)27-20(14-22(30)31)21(29)16-35-15-18-10-6-4-7-11-18/h4-13,17,20,23,34H,14-16H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)/t20-,23-,26?/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	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10551 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-bromo-2-me...) Show SMILES COc1ccc(Br)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H31BrN2O7S/c1-15(2)23(29-26(35)24(33)18-11-17(27)9-10-21(18)36-3)25(34)28-19(12-22(31)32)20(30)14-37-13-16-7-5-4-6-8-16/h4-11,15,19,23-24,33H,12-14H2,1-3H3,(H,28,34)(H,29,35)(H,31,32)/t19-,23-,24?/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	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10535 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-(5-bromo...) Show SMILES COc1ccc(Br)cc1[C@@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C29H33BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h1,6-8,10-14,18,21,23,27H,9,15-17H2,2-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23+,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10554 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{1-[2-methoxy-5-...) Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 |r| Show InChI InChI=1S/C29H34N4O7S/c1-17(2)27(28(38)31-22(14-26(36)37)23(34)16-41-15-19-8-6-5-7-9-19)32-25(35)13-21-12-20(10-11-24(21)39-4)29-30-18(3)33-40-29/h5-12,17,22,27H,13-16H2,1-4H3,(H,31,38)(H,32,35)(H,36,37)/t22-,27-/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	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10556 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-hydroxy-2-(5-...) Show SMILES COc1ccc(I)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H31IN2O7S/c1-15(2)23(29-26(35)24(33)18-11-17(27)9-10-21(18)36-3)25(34)28-19(12-22(31)32)20(30)14-37-13-16-7-5-4-6-8-16/h4-11,15,19,23-24,33H,12-14H2,1-3H3,(H,28,34)(H,29,35)(H,31,32)/t19-,23-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10538 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C25H30N2O6S/c1-16(2)22(27-25(33)23(31)18-11-7-4-8-12-18)24(32)26-19(13-21(29)30)20(28)15-34-14-17-9-5-3-6-10-17/h3-12,16,19,22-23,31H,13-15H2,1-2H3,(H,26,32)(H,27,33)(H,29,30)/t19-,22-,23-/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	n/a	n/a	100	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10551 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-bromo-2-me...) Show SMILES COc1ccc(Br)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H31BrN2O7S/c1-15(2)23(29-26(35)24(33)18-11-17(27)9-10-21(18)36-3)25(34)28-19(12-22(31)32)20(30)14-37-13-16-7-5-4-6-8-16/h4-11,15,19,23-24,33H,12-14H2,1-3H3,(H,28,34)(H,29,35)(H,31,32)/t19-,23-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10540 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-hydroxy-...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C22H32N2O6S/c1-13(2)19(24-22(30)20(28)14(3)4)21(29)23-16(10-18(26)27)17(25)12-31-11-15-8-6-5-7-9-15/h5-9,13-14,16,19-20,28H,10-12H2,1-4H3,(H,23,29)(H,24,30)(H,26,27)/t16-,19-,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	n/a	n/a	118	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10556 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-hydroxy-2-(5-...) Show SMILES COc1ccc(I)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H31IN2O7S/c1-15(2)23(29-26(35)24(33)18-11-17(27)9-10-21(18)36-3)25(34)28-19(12-22(31)32)20(30)14-37-13-16-7-5-4-6-8-16/h4-11,15,19,23-24,33H,12-14H2,1-3H3,(H,28,34)(H,29,35)(H,31,32)/t19-,23-,24?/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	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10535 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-(5-bromo...) Show SMILES COc1ccc(Br)cc1[C@@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C29H33BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h1,6-8,10-14,18,21,23,27H,9,15-17H2,2-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23+,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10547 ((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-[3,3,3-...) Show SMILES CC(C)[C@H](NC(=O)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C21H24F6N2O6S/c1-11(2)16(29-18(34)19(35,20(22,23)24)21(25,26)27)17(33)28-13(8-15(31)32)14(30)10-36-9-12-6-4-3-5-7-12/h3-7,11,13,16,35H,8-10H2,1-2H3,(H,28,33)(H,29,34)(H,31,32)/t13-,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	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10546 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(1-hydroxycyclo...) Show SMILES CC(C)[C@H](NC(=O)C1(O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C21H28N2O6S/c1-13(2)18(23-20(28)21(29)8-9-21)19(27)22-15(10-17(25)26)16(24)12-30-11-14-6-4-3-5-7-14/h3-7,13,15,18,29H,8-12H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)/t15-,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	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10528 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo...) Show SMILES COc1ccc(Br)cc1[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C27H33BrN2O6S/c1-16(2)25(30-26(34)17(3)20-12-19(28)10-11-23(20)36-4)27(35)29-21(13-24(32)33)22(31)15-37-14-18-8-6-5-7-9-18/h5-12,16-17,21,25H,13-15H2,1-4H3,(H,29,35)(H,30,34)(H,32,33)/t17-,21-,25-/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	n/a	n/a	176	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10530 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo...) Show SMILES COc1ccc(Br)cc1[C@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C33H37BrN2O6S/c1-21(2)31(33(41)35-27(18-30(38)39)28(37)20-43-19-23-12-8-5-9-13-23)36-32(40)26(16-22-10-6-4-7-11-22)25-17-24(34)14-15-29(25)42-3/h4-15,17,21,26-27,31H,16,18-20H2,1-3H3,(H,35,41)(H,36,40)(H,38,39)/t26-,27-,31-/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	n/a	n/a	181	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10529 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo...) Show SMILES CCC[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)c1cc(Br)ccc1OC |r| Show InChI InChI=1S/C29H37BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h6-8,10-14,18,21,23,27H,5,9,15-17H2,1-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23-,27-/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	n/a	n/a	274	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10555 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{2-hydroxy-2-[2-...) Show SMILES COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 |r| Show InChI InChI=1S/C29H34N4O8S/c1-16(2)25(27(38)31-21(13-24(35)36)22(34)15-42-14-18-8-6-5-7-9-18)32-28(39)26(37)20-12-19(10-11-23(20)40-4)29-30-17(3)33-41-29/h5-12,16,21,25-26,37H,13-15H2,1-4H3,(H,31,38)(H,32,39)(H,35,36)/t21-,25-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10527 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-me...) Show SMILES COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H31BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20,25H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,25-/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	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10527 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-me...) Show SMILES COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H31BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20,25H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,25-/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	n/a	n/a	285	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10553 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-acetyl-2-m...) Show SMILES COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r| Show InChI InChI=1S/C28H34N2O8S/c1-16(2)25(30-28(37)26(35)20-12-19(17(3)31)10-11-23(20)38-4)27(36)29-21(13-24(33)34)22(32)15-39-14-18-8-6-5-7-9-18/h5-12,16,21,25-26,35H,13-15H2,1-4H3,(H,29,36)(H,30,37)(H,33,34)/t21-,25-,26?/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	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10532 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{[1-(5-bromo-2-m...) Show SMILES COc1ccc(Br)cc1C1(CC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C28H33BrN2O6S/c1-17(2)25(31-27(36)28(11-12-28)20-13-19(29)9-10-23(20)37-3)26(35)30-21(14-24(33)34)22(32)16-38-15-18-7-5-4-6-8-18/h4-10,13,17,21,25H,11-12,14-16H2,1-3H3,(H,30,35)(H,31,36)(H,33,34)/t21-,25-/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	n/a	n/a	323	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10539 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-hydroxy-...) Show SMILES CC(C)[C@@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C22H32N2O6S/c1-13(2)19(24-22(30)20(28)14(3)4)21(29)23-16(10-18(26)27)17(25)12-31-11-15-8-6-5-7-9-15/h5-9,13-14,16,19-20,28H,10-12H2,1-4H3,(H,23,29)(H,24,30)(H,26,27)/t16-,19-,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	n/a	n/a	330	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10534 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo...) Show SMILES COc1ccc(Br)cc1[C@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C29H33BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h1,6-8,10-14,18,21,23,27H,9,15-17H2,2-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23-,27-/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	n/a	n/a	341	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10541 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-methoxy-...) Show SMILES CO[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H32N2O6S/c1-17(2)23(28-26(33)24(34-3)19-12-8-5-9-13-19)25(32)27-20(14-22(30)31)21(29)16-35-15-18-10-6-4-7-11-18/h4-13,17,20,23-24H,14-16H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)/t20-,23-,24-/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	n/a	n/a	425	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10545 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-met...) Show SMILES CC(C)[C@H](NC(=O)C(C)(C)O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C21H30N2O6S/c1-13(2)18(23-20(28)21(3,4)29)19(27)22-15(10-17(25)26)16(24)12-30-11-14-8-6-5-7-9-14/h5-9,13,15,18,29H,10-12H2,1-4H3,(H,22,27)(H,23,28)(H,25,26)/t15-,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	n/a	n/a	467	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10549 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(2,5-dimethox...) Show SMILES COc1ccc(OC)c(c1)C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C27H34N2O8S/c1-16(2)24(29-27(35)25(33)19-12-18(36-3)10-11-22(19)37-4)26(34)28-20(13-23(31)32)21(30)15-38-14-17-8-6-5-7-9-17/h5-12,16,20,24-25,33H,13-15H2,1-4H3,(H,28,34)(H,29,35)(H,31,32)/t20-,24-,25?/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	n/a	n/a	545	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10552 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...) Show SMILES COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r| Show InChI InChI=1S/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/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	n/a	n/a	555	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10553 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-acetyl-2-m...) Show SMILES COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r| Show InChI InChI=1S/C28H34N2O8S/c1-16(2)25(30-28(37)26(35)20-12-19(17(3)31)10-11-23(20)38-4)27(36)29-21(13-24(33)34)22(32)15-39-14-18-8-6-5-7-9-18/h5-12,16,21,25-26,35H,13-15H2,1-4H3,(H,29,36)(H,30,37)(H,33,34)/t21-,25-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	635	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM10556 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-hydroxy-2-(5-...) Show SMILES COc1ccc(I)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H31IN2O7S/c1-15(2)23(29-26(35)24(33)18-11-17(27)9-10-21(18)36-3)25(34)28-19(12-22(31)32)20(30)14-37-13-16-7-5-4-6-8-16/h4-11,15,19,23-24,33H,12-14H2,1-3H3,(H,28,34)(H,29,35)(H,31,32)/t19-,23-,24?/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	n/a	n/a	675	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10536 ((3S)-5-(benzylsulfanyl)-3-[(2S)-3-methyl-2-(1-phen...) Show SMILES CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C25H30N2O5S/c1-17(2)24(27-22(29)13-18-9-5-3-6-10-18)25(32)26-20(14-23(30)31)21(28)16-33-15-19-11-7-4-8-12-19/h3-12,17,20,24H,13-16H2,1-2H3,(H,26,32)(H,27,29)(H,30,31)/t20-,24-/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	n/a	n/a	746	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10549 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(2,5-dimethox...) Show SMILES COc1ccc(OC)c(c1)C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C27H34N2O8S/c1-16(2)24(29-27(35)25(33)19-12-18(36-3)10-11-22(19)37-4)26(34)28-20(13-23(31)32)21(30)15-38-14-17-8-6-5-7-9-17/h5-12,16,20,24-25,33H,13-15H2,1-4H3,(H,28,34)(H,29,35)(H,31,32)/t20-,24-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	975	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM10535 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-(5-bromo...) Show SMILES COc1ccc(Br)cc1[C@@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C29H33BrN2O6S/c1-5-9-21(22-14-20(30)12-13-25(22)38-4)28(36)32-27(18(2)3)29(37)31-23(15-26(34)35)24(33)17-39-16-19-10-7-6-8-11-19/h1,6-8,10-14,18,21,23,27H,9,15-17H2,2-4H3,(H,31,37)(H,32,36)(H,34,35)/t21-,23+,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10537 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-hydroxy-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C25H30N2O6S/c1-16(2)22(27-25(33)23(31)18-11-7-4-8-12-18)24(32)26-19(13-21(29)30)20(28)15-34-14-17-9-5-3-6-10-17/h3-12,16,19,22-23,31H,13-15H2,1-2H3,(H,26,32)(H,27,33)(H,29,30)/t19-,22-,23+/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	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10537 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2R)-2-hydroxy-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C25H30N2O6S/c1-16(2)22(27-25(33)23(31)18-11-7-4-8-12-18)24(32)26-19(13-21(29)30)20(28)15-34-14-17-9-5-3-6-10-17/h3-12,16,19,22-23,31H,13-15H2,1-2H3,(H,26,32)(H,27,33)(H,29,30)/t19-,22-,23+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10543 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2,2-d...) Show SMILES CC(C)[C@H](NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C31H34N2O6S/c1-21(2)28(33-30(38)31(39,23-14-8-4-9-15-23)24-16-10-5-11-17-24)29(37)32-25(18-27(35)36)26(34)20-40-19-22-12-6-3-7-13-22/h3-17,21,25,28,39H,18-20H2,1-2H3,(H,32,37)(H,33,38)(H,35,36)/t25-,28-/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	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10531 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(2S)-2-(5-bromo...) Show SMILES COc1ccc(Br)cc1[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C29H37BrN2O6S/c1-17(2)26(21-13-20(30)11-12-24(21)38-5)28(36)32-27(18(3)4)29(37)31-22(14-25(34)35)23(33)16-39-15-19-9-7-6-8-10-19/h6-13,17-18,22,26-27H,14-16H2,1-5H3,(H,31,37)(H,32,36)(H,34,35)/t22-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM10551 ((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-bromo-2-me...) Show SMILES COc1ccc(Br)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C26H31BrN2O7S/c1-15(2)23(29-26(35)24(33)18-11-17(27)9-10-21(18)36-3)25(34)28-19(12-22(31)32)20(30)14-37-13-16-7-5-4-6-8-16/h4-11,15,19,23-24,33H,12-14H2,1-3H3,(H,28,34)(H,29,35)(H,31,32)/t19-,23-,24?/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	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					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 15: 3886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 120 total )  |  Next  |  Last  >>

Jump to: