Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 3226   

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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (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	PDB Article PubMed	n/a	n/a	2.95	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-8 (Homo sapiens (Human))	BDBM10357 ((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...) Show SMILES CCC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H34N4O10/c1-5-10(2)17(22-12(4)28)20(34)24-14(6-7-15(29)30)19(33)25-18(11(3)27)21(35)23-13(9-26)8-16(31)32/h9-11,13-14,17-18,27H,5-8H2,1-4H3,(H,22,28)(H,23,35)(H,24,34)(H,25,33)(H,29,30)(H,31,32)/t10?,11?,13-,14-,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM10356 ((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...) Show SMILES CCC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H36N4O9/c1-6-12(4)19(22(35)24-14(10-27)9-17(31)32)26-20(33)15(7-8-16(29)30)25-21(34)18(11(2)3)23-13(5)28/h10-12,14-15,18-19H,6-9H2,1-5H3,(H,23,28)(H,24,35)(H,25,34)(H,26,33)(H,29,30)(H,31,32)/t12?,14-,15-,18-,19-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM10355 ((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	7.4	37
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10323 ((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29588 (CHEMBL226779 | isatin Michael acceptor (IMA) analo...) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](\C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]-c1ccccc1 |r| Show InChI InChI=1S/C29H24N4O4S/c30-17-22(18-31)28-26-16-25(13-14-27(26)32(29(28)34)19-21-8-3-1-4-9-21)38(35,36)33-15-7-10-23(33)20-37-24-11-5-2-6-12-24/h1-6,8-9,11-14,16,23H,7,10,15,19-20H2/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.8	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29581 (isatin sulfonamide, 16a) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC1 Show InChI InChI=1S/C18H16N2O4S/c21-17-15-11-14(25(23,24)19-9-4-10-19)7-8-16(15)20(18(17)22)12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2	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	114	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM29581 (isatin sulfonamide, 16a) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC1 Show InChI InChI=1S/C18H16N2O4S/c21-17-15-11-14(25(23,24)19-9-4-10-19)7-8-16(15)20(18(17)22)12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2	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	132	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29578 (isatin Michael acceptor (IMA) analogue, 13a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1 Show InChI InChI=1S/C22H18N4O3S2/c23-13-17(14-24)21-19-12-18(31(28,29)25-8-10-30-11-9-25)6-7-20(19)26(22(21)27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29582 (isatin Michael acceptor (IMA) analogue, 18a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C21H16N4O3S/c22-12-16(13-23)20-18-11-17(29(27,28)24-9-4-10-24)7-8-19(18)25(21(20)26)14-15-5-2-1-3-6-15/h1-3,5-8,11H,4,9-10,14H2	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	156	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29579 (isatin Michael acceptor (IMA) analogue, 13b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#16]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C23H20N4O4S2/c1-31-18-4-2-16(3-5-18)15-27-21-7-6-19(33(29,30)26-8-10-32-11-9-26)12-20(21)22(23(27)28)17(13-24)14-25/h2-7,12H,8-11,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29583 (isatin Michael acceptor (IMA) analogue, 18b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C22H18N4O4S/c1-30-17-5-3-15(4-6-17)14-26-20-8-7-18(31(28,29)25-9-2-10-25)11-19(20)21(22(26)27)16(12-23)13-24/h3-8,11H,2,9-10,14H2,1H3	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	197	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29580 (isatin Michael acceptor (IMA) analogue, 13c) Show SMILES Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#16]-[#6]-[#6]-2)cc1Cl Show InChI InChI=1S/C22H16Cl2N4O3S2/c23-18-3-1-14(9-19(18)24)13-28-20-4-2-16(33(30,31)27-5-7-32-8-6-27)10-17(20)21(22(28)29)15(11-25)12-26/h1-4,9-10H,5-8,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29585 (isatin Michael acceptor (IMA) analogue, 19a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C22H18N4O3S/c23-13-17(14-24)21-19-12-18(30(28,29)25-10-4-5-11-25)8-9-20(19)26(22(21)27)15-16-6-2-1-3-7-16/h1-3,6-9,12H,4-5,10-11,15H2	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	241	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM29582 (isatin Michael acceptor (IMA) analogue, 18a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C21H16N4O3S/c22-12-16(13-23)20-18-11-17(29(27,28)24-9-4-10-24)7-8-19(18)25(21(20)26)14-15-5-2-1-3-6-15/h1-3,5-8,11H,4,9-10,14H2	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	248	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29584 (isatin Michael acceptor (IMA) analogue, 18c) Show SMILES Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-2)cc1Cl Show InChI InChI=1S/C21H14Cl2N4O3S/c22-17-4-2-13(8-18(17)23)12-27-19-5-3-15(31(29,30)26-6-1-7-26)9-16(19)20(21(27)28)14(10-24)11-25/h2-5,8-9H,1,6-7,12H2	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
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29582 (isatin Michael acceptor (IMA) analogue, 18a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C21H16N4O3S/c22-12-16(13-23)20-18-11-17(29(27,28)24-9-4-10-24)7-8-19(18)25(21(20)26)14-15-5-2-1-3-6-15/h1-3,5-8,11H,4,9-10,14H2	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	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29572 (isatin Michael acceptor (IMA) analogue, 11a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C23H20N4O3S/c24-14-18(15-25)22-20-13-19(31(29,30)26-11-5-2-6-12-26)9-10-21(20)27(23(22)28)16-17-7-3-1-4-8-17/h1,3-4,7-10,13H,2,5-6,11-12,16H2	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	325	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM29584 (isatin Michael acceptor (IMA) analogue, 18c) Show SMILES Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-2)cc1Cl Show InChI InChI=1S/C21H14Cl2N4O3S/c22-17-4-2-13(8-18(17)23)12-27-19-5-3-15(31(29,30)26-6-1-7-26)9-16(19)20(21(27)28)14(10-24)11-25/h2-5,8-9H,1,6-7,12H2	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
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29586 (isatin Michael acceptor (IMA) analogue, 19b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C23H20N4O4S/c1-31-18-6-4-16(5-7-18)15-27-21-9-8-19(32(29,30)26-10-2-3-11-26)12-20(21)22(23(27)28)17(13-24)14-25/h4-9,12H,2-3,10-11,15H2,1H3	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	358	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29584 (isatin Michael acceptor (IMA) analogue, 18c) Show SMILES Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-2)cc1Cl Show InChI InChI=1S/C21H14Cl2N4O3S/c22-17-4-2-13(8-18(17)23)12-27-19-5-3-15(31(29,30)26-6-1-7-26)9-16(19)20(21(27)28)14(10-24)11-25/h2-5,8-9H,1,6-7,12H2	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	365	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29575 (isatin Michael acceptor (IMA) analogue, 12a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 Show InChI InChI=1S/C22H18N4O4S/c23-13-17(14-24)21-19-12-18(31(28,29)25-8-10-30-11-9-25)6-7-20(19)26(22(21)27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,15H2	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	425	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM29586 (isatin Michael acceptor (IMA) analogue, 19b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C23H20N4O4S/c1-31-18-6-4-16(5-7-18)15-27-21-9-8-19(32(29,30)26-10-2-3-11-26)12-20(21)22(23(27)28)17(13-24)14-25/h4-9,12H,2-3,10-11,15H2,1H3	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	443	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29576 (isatin Michael acceptor (IMA) analogue, 12b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C23H20N4O5S/c1-31-18-4-2-16(3-5-18)15-27-21-7-6-19(33(29,30)26-8-10-32-11-9-26)12-20(21)22(23(27)28)17(13-24)14-25/h2-7,12H,8-11,15H2,1H3	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	453	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29587 (isatin Michael acceptor (IMA) analogue, 19c) Show SMILES Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1Cl Show InChI InChI=1S/C22H16Cl2N4O3S/c23-18-5-3-14(9-19(18)24)13-28-20-6-4-16(32(30,31)27-7-1-2-8-27)10-17(20)21(22(28)29)15(11-25)12-26/h3-6,9-10H,1-2,7-8,13H2	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	468	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM29587 (isatin Michael acceptor (IMA) analogue, 19c) Show SMILES Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1Cl Show InChI InChI=1S/C22H16Cl2N4O3S/c23-18-5-3-14(9-19(18)24)13-28-20-6-4-16(32(30,31)27-7-1-2-8-27)10-17(20)21(22(28)29)15(11-25)12-26/h3-6,9-10H,1-2,7-8,13H2	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	471	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM29583 (isatin Michael acceptor (IMA) analogue, 18b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C22H18N4O4S/c1-30-17-5-3-15(4-6-17)14-26-20-8-7-18(31(28,29)25-9-2-10-25)11-19(20)21(22(26)27)16(12-23)13-24/h3-8,11H,2,9-10,14H2,1H3	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	471	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29574 (isatin Michael acceptor (IMA) analogue, 11c) Show SMILES Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1Cl Show InChI InChI=1S/C23H18Cl2N4O3S/c24-19-6-4-15(10-20(19)25)14-29-21-7-5-17(33(31,32)28-8-2-1-3-9-28)11-18(21)22(23(29)30)16(12-26)13-27/h4-7,10-11H,1-3,8-9,14H2	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	529	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29573 (isatin Michael acceptor (IMA) analogue, 11b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C24H22N4O4S/c1-32-19-7-5-17(6-8-19)16-28-22-10-9-20(33(30,31)27-11-3-2-4-12-27)13-21(22)23(24(28)29)18(14-25)15-26/h5-10,13H,2-4,11-12,16H2,1H3	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	545	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29574 (isatin Michael acceptor (IMA) analogue, 11c) Show SMILES Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1Cl Show InChI InChI=1S/C23H18Cl2N4O3S/c24-19-6-4-15(10-20(19)25)14-29-21-7-5-17(33(31,32)28-8-2-1-3-9-28)11-18(21)22(23(29)30)16(12-26)13-27/h4-7,10-11H,1-3,8-9,14H2	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	568	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29572 (isatin Michael acceptor (IMA) analogue, 11a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C23H20N4O3S/c24-14-18(15-25)22-20-13-19(31(29,30)26-11-5-2-6-12-26)9-10-21(20)27(23(22)28)16-17-7-3-1-4-8-17/h1,3-4,7-10,13H,2,5-6,11-12,16H2	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	583	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM29585 (isatin Michael acceptor (IMA) analogue, 19a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C22H18N4O3S/c23-13-17(14-24)21-19-12-18(30(28,29)25-10-4-5-11-25)8-9-20(19)26(22(21)27)15-16-6-2-1-3-7-16/h1-3,6-9,12H,4-5,10-11,15H2	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	587	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29577 (isatin Michael acceptor (IMA) analogue, 12c) Show SMILES Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)cc1Cl Show InChI InChI=1S/C22H16Cl2N4O4S/c23-18-3-1-14(9-19(18)24)13-28-20-4-2-16(33(30,31)27-5-7-32-8-6-27)10-17(20)21(22(28)29)15(11-25)12-26/h1-4,9-10H,5-8,13H2	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	592	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29585 (isatin Michael acceptor (IMA) analogue, 19a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C22H18N4O3S/c23-13-17(14-24)21-19-12-18(30(28,29)25-10-4-5-11-25)8-9-20(19)26(22(21)27)15-16-6-2-1-3-7-16/h1-3,6-9,12H,4-5,10-11,15H2	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	671	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29586 (isatin Michael acceptor (IMA) analogue, 19b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C23H20N4O4S/c1-31-18-6-4-16(5-7-18)15-27-21-9-8-19(32(29,30)26-10-2-3-11-26)12-20(21)22(23(27)28)17(13-24)14-25/h4-9,12H,2-3,10-11,15H2,1H3	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	673	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29583 (isatin Michael acceptor (IMA) analogue, 18b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C22H18N4O4S/c1-30-17-5-3-15(4-6-17)14-26-20-8-7-18(31(28,29)25-9-2-10-25)11-19(20)21(22(26)27)16(12-23)13-24/h3-8,11H,2,9-10,14H2,1H3	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	718	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29587 (isatin Michael acceptor (IMA) analogue, 19c) Show SMILES Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1Cl Show InChI InChI=1S/C22H16Cl2N4O3S/c23-18-5-3-14(9-19(18)24)13-28-20-6-4-16(32(30,31)27-7-1-2-8-27)10-17(20)21(22(28)29)15(11-25)12-26/h3-6,9-10H,1-2,7-8,13H2	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	724	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM29572 (isatin Michael acceptor (IMA) analogue, 11a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C23H20N4O3S/c24-14-18(15-25)22-20-13-19(31(29,30)26-11-5-2-6-12-26)9-10-21(20)27(23(22)28)16-17-7-3-1-4-8-17/h1,3-4,7-10,13H,2,5-6,11-12,16H2	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	878	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM29588 (CHEMBL226779 | isatin Michael acceptor (IMA) analo...) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](\C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]-c1ccccc1 |r| Show InChI InChI=1S/C29H24N4O4S/c30-17-22(18-31)28-26-16-25(13-14-27(26)32(29(28)34)19-21-8-3-1-4-9-21)38(35,36)33-15-7-10-23(33)20-37-24-11-5-2-6-12-24/h1-6,8-9,11-14,16,23H,7,10,15,19-20H2/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	918	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29571 (isatin sulfonamide, 10a) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCSCC1 Show InChI InChI=1S/C19H18N2O4S2/c22-18-16-12-15(27(24,25)20-8-10-26-11-9-20)6-7-17(16)21(19(18)23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2	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	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM29573 (isatin Michael acceptor (IMA) analogue, 11b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C24H22N4O4S/c1-32-19-7-5-17(6-8-19)16-28-22-10-9-20(33(30,31)27-11-3-2-4-12-27)13-21(22)23(24(28)29)18(14-25)15-26/h5-10,13H,2-4,11-12,16H2,1H3	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	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29573 (isatin Michael acceptor (IMA) analogue, 11b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C24H22N4O4S/c1-32-19-7-5-17(6-8-19)16-28-22-10-9-20(33(30,31)27-11-3-2-4-12-27)13-21(22)23(24(28)29)18(14-25)15-26/h5-10,13H,2-4,11-12,16H2,1H3	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	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29570 (isatin sulfonamide, 9c) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1Cl Show InChI InChI=1S/C19H16Cl2N2O5S/c20-15-3-1-12(9-16(15)21)11-23-17-4-2-13(10-14(17)18(24)19(23)25)29(26,27)22-5-7-28-8-6-22/h1-4,9-10H,5-8,11H2	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	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29578 (isatin Michael acceptor (IMA) analogue, 13a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1 Show InChI InChI=1S/C22H18N4O3S2/c23-13-17(14-24)21-19-12-18(31(28,29)25-8-10-30-11-9-25)6-7-20(19)26(22(21)27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,15H2	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	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM29571 (isatin sulfonamide, 10a) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCSCC1 Show InChI InChI=1S/C19H18N2O4S2/c22-18-16-12-15(27(24,25)20-8-10-26-11-9-20)6-7-17(16)21(19(18)23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2	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	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29577 (isatin Michael acceptor (IMA) analogue, 12c) Show SMILES Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)cc1Cl Show InChI InChI=1S/C22H16Cl2N4O4S/c23-18-3-1-14(9-19(18)24)13-28-20-4-2-16(33(30,31)27-5-7-32-8-6-27)10-17(20)21(22(28)29)15(11-25)12-26/h1-4,9-10H,5-8,13H2	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	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM29578 (isatin Michael acceptor (IMA) analogue, 13a) Show SMILES O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1 Show InChI InChI=1S/C22H18N4O3S2/c23-13-17(14-24)21-19-12-18(31(28,29)25-8-10-30-11-9-25)6-7-20(19)26(22(21)27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,15H2	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	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM29579 (isatin Michael acceptor (IMA) analogue, 13b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#16]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C23H20N4O4S2/c1-31-18-4-2-16(3-5-18)15-27-21-7-6-19(33(29,30)26-8-10-32-11-9-26)12-20(21)22(23(27)28)17(13-24)14-25/h2-7,12H,8-11,15H2,1H3	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	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM29579 (isatin Michael acceptor (IMA) analogue, 13b) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#16]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C23H20N4O4S2/c1-31-18-4-2-16(3-5-18)15-27-21-7-6-19(33(29,30)26-8-10-32-11-9-26)12-20(21)22(23(27)28)17(13-24)14-25/h2-7,12H,8-11,15H2,1H3	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	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...				J Med Chem 52: 2188-91 (2009) Article DOI: 10.1021/jm900135r BindingDB Entry DOI: 10.7270/Q2B856G4
					More data for this Ligand-Target Pair

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