Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 1248   

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))	BDBM10403 (7-methyl-12-(morpholine-4-sulfonyl)-4-(1,3,5-trime...) Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C22H23N5O5S/c1-12-18-19(22(29)27(21(18)28)20-13(2)24-25(4)14(20)3)16-11-15(5-6-17(16)23-12)33(30,31)26-7-9-32-10-8-26/h5-6,11H,7-10H2,1-4H3	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10392 (7-methyl-4-(2-methylphenyl)-12-(morpholine-4-sulfo...) Show SMILES Cc1nc2ccc(cc2c2C(=O)N(C(=O)c12)c1ccccc1C)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C23H21N3O5S/c1-14-5-3-4-6-19(14)26-22(27)20-15(2)24-18-8-7-16(13-17(18)21(20)23(26)28)32(29,30)25-9-11-31-12-10-25/h3-8,13H,9-12H2,1-2H3	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10385 (methyl 2-[7-methyl-12-(morpholine-4-sulfonyl)-3,5-...) Show SMILES COC(=O)CN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H19N3O7S/c1-11-16-17(19(25)22(18(16)24)10-15(23)28-2)13-9-12(3-4-14(13)20-11)30(26,27)21-5-7-29-8-6-21/h3-4,9H,5-8,10H2,1-2H3	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	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10397 (7-methyl-3,5-dioxo-4-(1,3,5-trimethyl-1H-pyrazol-4...) Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)C#N Show InChI InChI=1S/C19H15N5O2/c1-9-15-16(13-7-12(8-20)5-6-14(13)21-9)19(26)24(18(15)25)17-10(2)22-23(4)11(17)3/h5-7H,1-4H3	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
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10399 (2-hydroxy-N-[7-methyl-3,5-dioxo-4-(1,3,5-trimethyl...) Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)NCCO Show InChI InChI=1S/C20H21N5O5S/c1-10-16-17(20(28)25(19(16)27)18-11(2)23-24(4)12(18)3)14-9-13(5-6-15(14)22-10)31(29,30)21-7-8-26/h5-6,9,21,26H,7-8H2,1-4H3	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10400 (N-(2-methoxyethyl)-7-methyl-3,5-dioxo-4-(1,3,5-tri...) Show SMILES COCCNS(=O)(=O)c1ccc2nc(C)c3C(=O)N(C(=O)c3c2c1)c1c(C)nn(C)c1C Show InChI InChI=1S/C21H23N5O5S/c1-11-17-18(21(28)26(20(17)27)19-12(2)24-25(4)13(19)3)15-10-14(6-7-16(15)23-11)32(29,30)22-8-9-31-5/h6-7,10,22H,8-9H2,1-5H3	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10401 (methyl (2S)-2-{[7-methyl-3,5-dioxo-4-(1,3,5-trimet...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nc(C)c3C(=O)N(C(=O)c3c2c1)c1c(C)nn(C)c1C |r| Show InChI InChI=1S/C28H27N5O6S/c1-15-23-24(27(35)33(26(23)34)25-16(2)30-32(4)17(25)3)20-14-19(11-12-21(20)29-15)40(37,38)31-22(28(36)39-5)13-18-9-7-6-8-10-18/h6-12,14,22,31H,13H2,1-5H3/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10398 (7-methyl-3,5-dioxo-4-(1,3,5-trimethyl-1H-pyrazol-4...) Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(N)(=O)=O Show InChI InChI=1S/C18H17N5O4S/c1-8-14-15(12-7-11(28(19,26)27)5-6-13(12)20-8)18(25)23(17(14)24)16-9(2)21-22(4)10(16)3/h5-7H,1-4H3,(H2,19,26,27)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10389 (methyl 3-[7-methyl-12-(morpholine-4-sulfonyl)-3,5-...) Show SMILES COC(=O)CCN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C20H21N3O7S/c1-12-17-18(20(26)23(19(17)25)6-5-16(24)29-2)14-11-13(3-4-15(14)21-12)31(27,28)22-7-9-30-10-8-22/h3-4,11H,5-10H2,1-2H3	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	37	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10381 (4,7-dimethyl-12-(morpholine-4-sulfonyl)-4,8-diazat...) Show SMILES CN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C17H17N3O5S/c1-10-14-15(17(22)19(2)16(14)21)12-9-11(3-4-13(12)18-10)26(23,24)20-5-7-25-8-6-20/h3-4,9H,5-8H2,1-2H3	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	44	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10402 (7-methyl-12-{[(2R)-2-(phenoxymethyl)pyrrolidine-1-...) Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCC[C@@H]1COc1ccccc1 |r| Show InChI InChI=1S/C29H29N5O5S/c1-17-25-26(29(36)34(28(25)35)27-18(2)31-32(4)19(27)3)23-15-22(12-13-24(23)30-17)40(37,38)33-14-8-9-20(33)16-39-21-10-6-5-7-11-21/h5-7,10-13,15,20H,8-9,14,16H2,1-4H3/t20-/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	55	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10395 (7-methyl-3,5-dioxo-4-(1,3,5-trimethyl-1H-pyrazol-4...) Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(O)(=O)=O Show InChI InChI=1S/C18H16N4O5S/c1-8-14-15(12-7-11(28(25,26)27)5-6-13(12)19-8)18(24)22(17(14)23)16-9(2)20-21(4)10(16)3/h5-7H,1-4H3,(H,25,26,27)	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	90	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10393 (7-methyl-3,5-dioxo-4-(1,3,5-trimethyl-1H-pyrazol-4...) Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S([O-])(=O)=O Show InChI InChI=1S/C18H16N4O5S/c1-8-14-15(12-7-11(28(25,26)27)5-6-13(12)19-8)18(24)22(17(14)23)16-9(2)20-21(4)10(16)3/h5-7H,1-4H3,(H,25,26,27)/p-1	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	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10393 (7-methyl-3,5-dioxo-4-(1,3,5-trimethyl-1H-pyrazol-4...) Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S([O-])(=O)=O Show InChI InChI=1S/C18H16N4O5S/c1-8-14-15(12-7-11(28(25,26)27)5-6-13(12)19-8)18(24)22(17(14)23)16-9(2)20-21(4)10(16)3/h5-7H,1-4H3,(H,25,26,27)/p-1	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10378 (7-methyl-12-(morpholine-4-sulfonyl)-4,8-diazatricy...) Show SMILES Cc1nc2ccc(cc2c2C(=O)NC(=O)c12)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C16H15N3O5S/c1-9-13-14(16(21)18-15(13)20)11-8-10(2-3-12(11)17-9)25(22,23)19-4-6-24-7-5-19/h2-3,8H,4-7H2,1H3,(H,18,20,21)	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	210	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10394 (12-bromo-7-methyl-4-(1,3,5-trimethyl-1H-pyrazol-4-...) Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C Show InChI InChI=1S/C18H15BrN4O2/c1-8-14-15(12-7-11(19)5-6-13(12)20-8)18(25)23(17(14)24)16-9(2)21-22(4)10(16)3/h5-7H,1-4H3	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	360	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10384 (methyl 2-{12-bromo-7-methyl-3,5-dioxo-4,8-diazatri...) Show SMILES COC(=O)CN1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C Show InChI InChI=1S/C15H11BrN2O4/c1-7-12-13(9-5-8(16)3-4-10(9)17-7)15(21)18(14(12)20)6-11(19)22-2/h3-5H,6H2,1-2H3	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	460	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10388 (methyl 3-{12-bromo-7-methyl-3,5-dioxo-4,8-diazatri...) Show SMILES COC(=O)CCN1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C Show InChI InChI=1S/C16H13BrN2O4/c1-8-13-14(10-7-9(17)3-4-11(10)18-8)16(22)19(15(13)21)6-5-12(20)23-2/h3-4,7H,5-6H2,1-2H3	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	1.08E+3	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10380 (12-bromo-4,7-dimethyl-4,8-diazatricyclo[7.4.0.0^{2...) Show SMILES CN1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C Show InChI InChI=1S/C13H9BrN2O2/c1-6-10-11(13(18)16(2)12(10)17)8-5-7(14)3-4-9(8)15-6/h3-5H,1-2H3	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	1.58E+3	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10383 (methyl 2-{12-fluoro-7-methyl-3,5-dioxo-4,8-diazatr...) Show SMILES COC(=O)CN1C(=O)c2c(C1=O)c1cc(F)ccc1nc2C Show InChI InChI=1S/C15H11FN2O4/c1-7-12-13(9-5-8(16)3-4-10(9)17-7)15(21)18(14(12)20)6-11(19)22-2/h3-5H,6H2,1-2H3	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	2.50E+3	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10391 (12-bromo-7-methyl-4-(2-methylphenyl)-4,8-diazatric...) Show SMILES Cc1ccccc1N1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C Show InChI InChI=1S/C19H13BrN2O2/c1-10-5-3-4-6-15(10)22-18(23)16-11(2)21-14-8-7-12(20)9-13(14)17(16)19(22)24/h3-9H,1-2H3	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	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10382 (methyl 2-{7-methyl-3,5-dioxo-4,8-diazatricyclo[7.4...) Show SMILES COC(=O)CN1C(=O)c2c(C1=O)c1ccccc1nc2C Show InChI InChI=1S/C15H12N2O4/c1-8-12-13(9-5-3-4-6-10(9)16-8)15(20)17(14(12)19)7-11(18)21-2/h3-6H,7H2,1-2H3	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	4.65E+3	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10387 (methyl 3-{12-fluoro-7-methyl-3,5-dioxo-4,8-diazatr...) Show SMILES COC(=O)CCN1C(=O)c2c(C1=O)c1cc(F)ccc1nc2C Show InChI InChI=1S/C16H13FN2O4/c1-8-13-14(10-7-9(17)3-4-11(10)18-8)16(22)19(15(13)21)6-5-12(20)23-2/h3-4,7H,5-6H2,1-2H3	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	5.50E+3	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10379 (4,7-dimethyl-4,8-diazatricyclo[7.4.0.0^{2,6}]tride...) Show SMILES CN1C(=O)c2c(C1=O)c1ccccc1nc2C Show InChI InChI=1S/C13H10N2O2/c1-7-10-11(13(17)15(2)12(10)16)8-5-3-4-6-9(8)14-7/h3-6H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.36E+3	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10390 (7-methyl-4-(2-methylphenyl)-4,8-diazatricyclo[7.4....) Show SMILES Cc1ccccc1N1C(=O)c2c(C1=O)c1ccccc1nc2C Show InChI InChI=1S/C19H14N2O2/c1-11-7-3-6-10-15(11)21-18(22)16-12(2)20-14-9-5-4-8-13(14)17(16)19(21)23/h3-10H,1-2H3	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	8.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10386 (methyl 3-{7-methyl-3,5-dioxo-4,8-diazatricyclo[7.4...) Show SMILES COC(=O)CCN1C(=O)c2c(C1=O)c1ccccc1nc2C Show InChI InChI=1S/C16H14N2O4/c1-9-13-14(10-5-3-4-6-11(10)17-9)16(21)18(15(13)20)8-7-12(19)22-2/h3-6H,7-8H2,1-2H3	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	2.33E+4	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10377 (12-bromo-7-methyl-4,8-diazatricyclo[7.4.0.0^{2,6}]...) Show SMILES Cc1nc2ccc(Br)cc2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C12H7BrN2O2/c1-5-9-10(12(17)15-11(9)16)7-4-6(13)2-3-8(7)14-5/h2-4H,1H3,(H,15,16,17)	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	3.71E+4	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10376 (12-fluoro-7-methyl-4,8-diazatricyclo[7.4.0.0^{2,6}...) Show SMILES Cc1nc2ccc(F)cc2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C12H7FN2O2/c1-5-9-10(12(17)15-11(9)16)7-4-6(13)2-3-8(7)14-5/h2-4H,1H3,(H,15,16,17)	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	6.28E+4	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10375 (7-methyl-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1...) Show SMILES Cc1nc2ccccc2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C12H8N2O2/c1-6-9-10(12(16)14-11(9)15)7-4-2-3-5-8(7)13-6/h2-5H,1H3,(H,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair