Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'maliarchouk' and Initial = 's'   

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	3.10	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
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))	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))	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))	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))	BDBM10358 (2-[7-methyl-12-(morpholine-4-sulfonyl)-3,5-dioxo-4...) Show SMILES CC(=O)OCCN1C(=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)7-10-30-13(2)24)15-11-14(3-4-16(15)21-12)31(27,28)22-5-8-29-9-6-22/h3-4,11H,5-10H2,1-2H3	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	23	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10360 (2-[12-(morpholine-4-sulfonyl)-3,5-dioxo-7-phenyl-4...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccccc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C25H23N3O7S/c1-16(29)35-14-11-28-24(30)21-19-15-18(36(32,33)27-9-12-34-13-10-27)7-8-20(19)26-23(22(21)25(28)31)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3	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	27	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					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))	BDBM10362 (2-[12-(morpholine-4-sulfonyl)-3,5-dioxo-7-[(E)-2-[...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2\C=C\c1ccc(cc1)C(F)(F)F)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C28H24F3N3O7S/c1-17(35)41-15-12-34-26(36)24-21-16-20(42(38,39)33-10-13-40-14-11-33)7-9-22(21)32-23(25(24)27(34)37)8-4-18-2-5-19(6-3-18)28(29,30)31/h2-9,16H,10-15H2,1H3/b8-4+	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	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10374 (2-[12-(morpholine-4-sulfonyl)-3,5-dioxo-7-(pyridin...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1cccnc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C24H22N4O7S/c1-15(29)35-12-9-28-23(30)20-18-13-17(36(32,33)27-7-10-34-11-8-27)4-5-19(18)26-22(21(20)24(28)31)16-3-2-6-25-14-16/h2-6,13-14H,7-12H2,1H3	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	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10373 (2-[7-(3-chloro-4-fluorophenyl)-12-(morpholine-4-su...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccc(F)c(Cl)c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C25H21ClFN3O7S/c1-14(31)37-11-8-30-24(32)21-17-13-16(38(34,35)29-6-9-36-10-7-29)3-5-20(17)28-23(22(21)25(30)33)15-2-4-19(27)18(26)12-15/h2-5,12-13H,6-11H2,1H3	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	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10361 (2-[7-(furan-2-yl)-12-(morpholine-4-sulfonyl)-3,5-d...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccco1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C23H21N3O8S/c1-14(27)33-12-8-26-22(28)19-16-13-15(35(30,31)25-6-10-32-11-7-25)4-5-17(16)24-21(20(19)23(26)29)18-3-2-9-34-18/h2-5,9,13H,6-8,10-12H2,1H3	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	36	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					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))	BDBM10359 (2-[12-(morpholine-4-sulfonyl)-3,5-dioxo-7-(propan-...) Show SMILES CC(C)c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C22H25N3O7S/c1-13(2)20-19-18(21(27)25(22(19)28)8-11-32-14(3)26)16-12-15(4-5-17(16)23-20)33(29,30)24-6-9-31-10-7-24/h4-5,12-13H,6-11H2,1-3H3	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	40	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					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))	BDBM10372 (2-{7-[4-(dimethylcarbamoyl)phenyl]-12-(morpholine-...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C28H28N4O8S/c1-17(33)40-15-12-32-27(35)23-21-16-20(41(37,38)31-10-13-39-14-11-31)8-9-22(21)29-25(24(23)28(32)36)18-4-6-19(7-5-18)26(34)30(2)3/h4-9,16H,10-15H2,1-3H3	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	58	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					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))	BDBM10365 (pyrrolo[3,4-c]-quinoline-1,3-dione 21a) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2SC(N)=N)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C20H21N5O7S2/c1-11(26)32-9-6-25-18(27)15-13-10-12(34(29,30)24-4-7-31-8-5-24)2-3-14(13)23-17(33-20(21)22)16(15)19(25)28/h2-3,10H,4-9H2,1H3,(H3,21,22)	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	255	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10364 (2-[7-chloro-12-(morpholine-4-sulfonyl)-3,5-dioxo-4...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2Cl)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H18ClN3O7S/c1-11(24)30-9-6-23-18(25)15-13-10-12(31(27,28)22-4-7-29-8-5-22)2-3-14(13)21-17(20)16(15)19(23)26/h2-3,10H,4-9H2,1H3	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	294	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10370 (methyl 2-({4-[2-(acetyloxy)ethyl]-12-(morpholine-4...) Show SMILES COC(=O)CS(=O)c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C22H23N3O10S2/c1-13(26)35-10-7-25-21(28)18-15-11-14(37(31,32)24-5-8-34-9-6-24)3-4-16(15)23-20(19(18)22(25)29)36(30)12-17(27)33-2/h3-4,11H,5-10,12H2,1-2H3	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	352	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					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))	BDBM10371 (methyl 2-({4-[2-(acetyloxy)ethyl]-12-(morpholine-4...) Show SMILES COC(=O)CS(=O)(=O)c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C22H23N3O11S2/c1-13(26)36-10-7-25-21(28)18-15-11-14(38(32,33)24-5-8-35-9-6-24)3-4-16(15)23-20(19(18)22(25)29)37(30,31)12-17(27)34-2/h3-4,11H,5-10,12H2,1-2H3	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	362	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					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))	BDBM10366 (methyl 2-({4-[2-(acetyloxy)ethyl]-12-(morpholine-4...) Show SMILES COC(=O)CSc1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C22H23N3O9S2/c1-13(26)34-10-7-25-21(28)18-15-11-14(36(30,31)24-5-8-33-9-6-24)3-4-16(15)23-20(19(18)22(25)29)35-12-17(27)32-2/h3-4,11H,5-10,12H2,1-2H3	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	1.29E+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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					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))	BDBM10368 (1,4-diethyl (2R)-2-({4-[2-(acetyloxy)ethyl]-12-(mo...) Show SMILES CCOC(=O)C[C@@H](Nc1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1)C(=O)OCC |r| Show InChI InChI=1S/C27H32N4O11S/c1-4-40-21(33)15-20(27(36)41-5-2)29-24-23-22(25(34)31(26(23)35)10-13-42-16(3)32)18-14-17(6-7-19(18)28-24)43(37,38)30-8-11-39-12-9-30/h6-7,14,20H,4-5,8-13,15H2,1-3H3,(H,28,29)/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	5.19E+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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					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))	BDBM10363 (2-[7-hydroxy-12-(morpholine-4-sulfonyl)-3,5-dioxo-...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c(=O)[nH]c1ccc(cc21)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H19N3O8S/c1-11(23)30-9-6-22-18(25)15-13-10-12(31(27,28)21-4-7-29-8-5-21)2-3-14(13)20-17(24)16(15)19(22)26/h2-3,10H,4-9H2,1H3,(H,20,24)	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	1.09E+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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10367 (2-[7-(morpholin-4-yl)-12-(morpholine-4-sulfonyl)-3...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2N1CCOCC1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C23H26N4O8S/c1-15(28)35-13-8-27-22(29)19-17-14-16(36(31,32)26-6-11-34-12-7-26)2-3-18(17)24-21(20(19)23(27)30)25-4-9-33-10-5-25/h2-3,14H,4-13H2,1H3	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+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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					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))	BDBM10369 (2-{7-[(3-chloro-4-fluorophenyl)amino]-12-(morpholi...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2Nc1ccc(F)c(Cl)c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C25H22ClFN4O7S/c1-14(32)38-11-8-31-24(33)21-17-13-16(39(35,36)30-6-9-37-10-7-30)3-5-20(17)29-23(22(21)25(31)34)28-15-2-4-19(27)18(26)12-15/h2-5,12-13H,6-11H2,1H3,(H,28,29)	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	2.79E+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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					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