Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 1271   

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))	BDBM10246 ((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	27	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10571 ((3S)-3-({5-[bis(2-methylpropyl)carbamoyl]pyridin-3...) Show SMILES CC(C)CN(CC(C)C)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r| Show InChI InChI=1S/C27H34FN3O5S/c1-17(2)13-31(14-18(3)4)27(36)21-9-20(11-29-12-21)26(35)30-23(10-25(33)34)24(32)16-37-15-19-5-7-22(28)8-6-19/h5-9,11-12,17-18,23H,10,13-16H2,1-4H3,(H,30,35)(H,33,34)/t23-/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	130	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10581 ((3S)-3-{[5-(cyclopropylsulfamoyl)pyridin-3-yl]form...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)COC(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C25H23N3O8S/c29-22(14-36-25(33)20-7-3-5-15-4-1-2-6-19(15)20)21(11-23(30)31)27-24(32)16-10-18(13-26-12-16)37(34,35)28-17-8-9-17/h1-7,10,12-13,17,21,28H,8-9,11,14H2,(H,27,32)(H,30,31)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10574 ((3S)-3-{[5-(dipropylsulfamoyl)pyridin-3-yl]formami...) Show SMILES CCCN(CCC)S(=O)(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H30FN3O6S2/c1-3-9-28(10-4-2)36(33,34)20-11-18(13-26-14-20)24(32)27-21(12-23(30)31)22(29)16-35-15-17-5-7-19(25)8-6-17/h5-8,11,13-14,21H,3-4,9-10,12,15-16H2,1-2H3,(H,27,32)(H,30,31)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10573 ((3S)-3-{[5-(diethylsulfamoyl)pyridin-3-yl]formamid...) Show SMILES CCN(CC)S(=O)(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r| Show InChI InChI=1S/C22H26FN3O6S2/c1-3-26(4-2)34(31,32)18-9-16(11-24-12-18)22(30)25-19(10-21(28)29)20(27)14-33-13-15-5-7-17(23)8-6-15/h5-9,11-12,19H,3-4,10,13-14H2,1-2H3,(H,25,30)(H,28,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10570 ((3S)-3-({5-[ethyl(propan-2-yl)carbamoyl]pyridin-3-...) Show SMILES CCN(C(C)C)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H28FN3O5S/c1-4-28(15(2)3)24(33)18-9-17(11-26-12-18)23(32)27-20(10-22(30)31)21(29)14-34-13-16-5-7-19(25)8-6-16/h5-9,11-12,15,20H,4,10,13-14H2,1-3H3,(H,27,32)(H,30,31)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10576 ((3S)-3-({5-[cyclopropyl(methyl)sulfamoyl]pyridin-3...) Show SMILES CN(C1CC1)S(=O)(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FN3O6S2/c1-26(17-6-7-17)34(31,32)18-8-15(10-24-11-18)22(30)25-19(9-21(28)29)20(27)13-33-12-14-2-4-16(23)5-3-14/h2-5,8,10-11,17,19H,6-7,9,12-13H2,1H3,(H,25,30)(H,28,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10572 ((3S)-3-{[5-(dimethylsulfamoyl)pyridin-3-yl]formami...) Show SMILES CN(C)S(=O)(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22FN3O6S2/c1-24(2)32(29,30)16-7-14(9-22-10-16)20(28)23-17(8-19(26)27)18(25)12-31-11-13-3-5-15(21)6-4-13/h3-7,9-10,17H,8,11-12H2,1-2H3,(H,23,28)(H,26,27)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10577 ((3S)-3-{[5-(benzylsulfamoyl)pyridin-3-yl]formamido...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NCc1ccccc1)C(=O)CSCc1ccc(F)cc1 |r| Show InChI InChI=1S/C25H24FN3O6S2/c26-20-8-6-18(7-9-20)15-36-16-23(30)22(11-24(31)32)29-25(33)19-10-21(14-27-13-19)37(34,35)28-12-17-4-2-1-3-5-17/h1-10,13-14,22,28H,11-12,15-16H2,(H,29,33)(H,31,32)/t22-/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	340	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10580 ((3S)-3-{[5-(cyclopropylsulfamoyl)pyridin-3-yl]form...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C19H19N3O7S/c23-17(24)9-16(19(26)29-14-4-2-1-3-5-14)21-18(25)12-8-15(11-20-10-12)30(27,28)22-13-6-7-13/h1-5,8,10-11,13,16,22H,6-7,9H2,(H,21,25)(H,23,24)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10575 ((3S)-3-{[5-(cyclopropylsulfamoyl)pyridin-3-yl]form...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)CSCc1ccc(F)cc1 |r| Show InChI InChI=1S/C21H22FN3O6S2/c22-15-3-1-13(2-4-15)11-32-12-19(26)18(8-20(27)28)24-21(29)14-7-17(10-23-9-14)33(30,31)25-16-5-6-16/h1-4,7,9-10,16,18,25H,5-6,8,11-12H2,(H,24,29)(H,27,28)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10569 ((3S)-3-{[5-(dipropylcarbamoyl)pyridin-3-yl]formami...) Show SMILES CCCN(CCC)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r| Show InChI InChI=1S/C25H30FN3O5S/c1-3-9-29(10-4-2)25(34)19-11-18(13-27-14-19)24(33)28-21(12-23(31)32)22(30)16-35-15-17-5-7-20(26)8-6-17/h5-8,11,13-14,21H,3-4,9-10,12,15-16H2,1-2H3,(H,28,33)(H,31,32)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10579 ((3S)-3-{[5-(cyclopropylsulfamoyl)pyridin-3-yl]form...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)CNCc1c(F)cccc1F |r| Show InChI InChI=1S/C21H22F2N4O6S/c22-16-2-1-3-17(23)15(16)10-25-11-19(28)18(7-20(29)30)26-21(31)12-6-14(9-24-8-12)34(32,33)27-13-4-5-13/h1-3,6,8-9,13,18,25,27H,4-5,7,10-11H2,(H,26,31)(H,29,30)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10568 ((3S)-3-{[5-(diethylcarbamoyl)pyridin-3-yl]formamid...) Show SMILES CCN(CC)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r| Show InChI InChI=1S/C23H26FN3O5S/c1-3-27(4-2)23(32)17-9-16(11-25-12-17)22(31)26-19(10-21(29)30)20(28)14-33-13-15-5-7-18(24)8-6-15/h5-9,11-12,19H,3-4,10,13-14H2,1-2H3,(H,26,31)(H,29,30)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10578 ((3S)-3-{[5-(cyclopropylsulfamoyl)pyridin-3-yl]form...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C=O |r| Show InChI InChI=1S/C13H15N3O6S/c17-7-10(4-12(18)19)15-13(20)8-3-11(6-14-5-8)23(21,22)16-9-1-2-9/h3,5-7,9-10,16H,1-2,4H2,(H,15,20)(H,18,19)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10566 ((3S)-5-(benzylsulfanyl)-3-[(5-bromopyridin-3-yl)fo...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C18H17BrN2O4S/c19-14-6-13(8-20-9-14)18(25)21-15(7-17(23)24)16(22)11-26-10-12-4-2-1-3-5-12/h1-6,8-9,15H,7,10-11H2,(H,21,25)(H,23,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10567 ((3S)-3-[(5-bromopyridin-3-yl)formamido]-5-{[(4-flu...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CSCc1ccc(F)cc1 |r| Show InChI InChI=1S/C18H16BrFN2O4S/c19-13-5-12(7-21-8-13)18(26)22-15(6-17(24)25)16(23)10-27-9-11-1-3-14(20)4-2-11/h1-5,7-8,15H,6,9-10H2,(H,22,26)(H,24,25)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10561 ((3S)-3-[(5-bromopyridin-3-yl)formamido]-4-oxobutan...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C=O |r| Show InChI InChI=1S/C10H9BrN2O4/c11-7-1-6(3-12-4-7)10(17)13-8(5-14)2-9(15)16/h1,3-5,8H,2H2,(H,13,17)(H,15,16)/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.00E+3	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-3 (Homo sapiens (Human))	BDBM10559 ((3S)-4-oxo-3-(pyridin-3-ylformamido)butanoic acid ...) Show SMILES OC(=O)C[C@H](NC(=O)c1cccnc1)C=O |r| Show InChI InChI=1S/C10H10N2O4/c13-6-8(4-9(14)15)12-10(16)7-2-1-3-11-5-7/h1-3,5-6,8H,4H2,(H,12,16)(H,14,15)/t8-/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	1.00E+4	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10565 ((3S)-3-[(5-bromopyridin-3-yl)formamido]-4-oxo-5-(p...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CSc1ccccc1 |r| Show InChI InChI=1S/C17H15BrN2O4S/c18-12-6-11(8-19-9-12)17(24)20-14(7-16(22)23)15(21)10-25-13-4-2-1-3-5-13/h1-6,8-9,14H,7,10H2,(H,20,24)(H,22,23)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10563 ((3S)-3-[(5-bromopyridin-3-yl)formamido]-4-oxo-7-ph...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CCCc1ccccc1 |r| Show InChI InChI=1S/C19H19BrN2O4/c20-15-9-14(11-21-12-15)19(26)22-16(10-18(24)25)17(23)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9,11-12,16H,4,7-8,10H2,(H,22,26)(H,24,25)/t16-/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	1.37E+4	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10557 ((3S)-4-oxo-3-(phenylformamido)butanoic acid | aspa...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccccc1)C=O |r| Show InChI InChI=1S/C11H11NO4/c13-7-9(6-10(14)15)12-11(16)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,12,16)(H,14,15)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10558 ((3S)-4-oxo-3-(pyridin-2-ylformamido)butanoic acid ...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccccn1)C=O |r| Show InChI InChI=1S/C10H10N2O4/c13-6-7(5-9(14)15)12-10(16)8-3-1-2-4-11-8/h1-4,6-7H,5H2,(H,12,16)(H,14,15)/t7-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+4	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10562 ((3S)-3-[(5-bromopyridin-3-yl)formamido]-4-oxo-5-ph...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C17H15BrN2O4/c18-13-7-12(9-19-10-13)17(24)20-14(8-16(22)23)15(21)6-11-4-2-1-3-5-11/h1-5,7,9-10,14H,6,8H2,(H,20,24)(H,22,23)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.37E+4	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10564 ((3S)-3-[(5-bromopyridin-3-yl)formamido]-4-oxo-9-ph...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C21H23BrN2O4/c22-17-11-16(13-23-14-17)21(28)24-18(12-20(26)27)19(25)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,11,13-14,18H,2,5-6,9-10,12H2,(H,24,28)(H,26,27)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.69E+4	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10560 ((3S)-4-oxo-3-(pyridin-4-ylformamido)butanoic acid ...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccncc1)C=O |r| Show InChI InChI=1S/C10H10N2O4/c13-6-8(5-9(14)15)12-10(16)7-1-3-11-4-2-7/h1-4,6,8H,5H2,(H,12,16)(H,14,15)/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	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 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair