Compile Data Set for Download or QSAR

Found 257 hits Enz. Inhib. hit(s) with all data for entry = 50012472   

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))	BDBM50119218 (4-Benzyloxycarbonylamino-4-[1-(2-hydroxy-5-oxo-tet...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H31N3O9/c1-13(2)10-16(21(31)25-17-11-19(29)35-22(17)32)24-20(30)15(8-9-18(27)28)26-23(33)34-12-14-6-4-3-5-7-14/h3-7,13,15-17,22,32H,8-12H2,1-2H3,(H,24,30)(H,25,31)(H,26,33)(H,27,28)/t15-,16-,17-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-3 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119245 (4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hy...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H28N4O11/c1-7(2)13(16(29)22-10-6-12(27)34-19(10)33)23-15(28)9(4-5-11(25)26)21-17(30)14(18(31)32)20-8(3)24/h7,9-10,13-14,19,33H,4-6H2,1-3H3,(H,20,24)(H,21,30)(H,22,29)(H,23,28)(H,25,26)(H,31,32)/t9-,10-,13-,14+,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-3 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119218 (4-Benzyloxycarbonylamino-4-[1-(2-hydroxy-5-oxo-tet...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H31N3O9/c1-13(2)10-16(21(31)25-17-11-19(29)35-22(17)32)24-20(30)15(8-9-18(27)28)26-23(33)34-12-14-6-4-3-5-7-14/h3-7,13,15-17,22,32H,8-12H2,1-2H3,(H,24,30)(H,25,31)(H,26,33)(H,27,28)/t15-,16-,17-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-1 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50119218 (4-Benzyloxycarbonylamino-4-[1-(2-hydroxy-5-oxo-tet...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H31N3O9/c1-13(2)10-16(21(31)25-17-11-19(29)35-22(17)32)24-20(30)15(8-9-18(27)28)26-23(33)34-12-14-6-4-3-5-7-14/h3-7,13,15-17,22,32H,8-12H2,1-2H3,(H,24,30)(H,25,31)(H,26,33)(H,27,28)/t15-,16-,17-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-7 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50119245 (4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hy...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H28N4O11/c1-7(2)13(16(29)22-10-6-12(27)34-19(10)33)23-15(28)9(4-5-11(25)26)21-17(30)14(18(31)32)20-8(3)24/h7,9-10,13-14,19,33H,4-6H2,1-3H3,(H,20,24)(H,21,30)(H,22,29)(H,23,28)(H,25,26)(H,31,32)/t9-,10-,13-,14+,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-7 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM50119245 (4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hy...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H28N4O11/c1-7(2)13(16(29)22-10-6-12(27)34-19(10)33)23-15(28)9(4-5-11(25)26)21-17(30)14(18(31)32)20-8(3)24/h7,9-10,13-14,19,33H,4-6H2,1-3H3,(H,20,24)(H,21,30)(H,22,29)(H,23,28)(H,25,26)(H,31,32)/t9-,10-,13-,14+,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-6 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50119218 (4-Benzyloxycarbonylamino-4-[1-(2-hydroxy-5-oxo-tet...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H31N3O9/c1-13(2)10-16(21(31)25-17-11-19(29)35-22(17)32)24-20(30)15(8-9-18(27)28)26-23(33)34-12-14-6-4-3-5-7-14/h3-7,13,15-17,22,32H,8-12H2,1-2H3,(H,24,30)(H,25,31)(H,26,33)(H,27,28)/t15-,16-,17-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-8 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119233 (CHEMBL101835 | {1-[1-(2-Hydroxy-5-oxo-tetrahydro-f...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C27H33N3O7/c1-17(2)13-20(24(32)29-22-15-23(31)37-26(22)34)28-25(33)21(14-18-9-5-3-6-10-18)30-27(35)36-16-19-11-7-4-8-12-19/h3-12,17,20-22,26,34H,13-16H2,1-2H3,(H,28,33)(H,29,32)(H,30,35)/t20-,21-,22-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-1 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119245 (4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hy...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H28N4O11/c1-7(2)13(16(29)22-10-6-12(27)34-19(10)33)23-15(28)9(4-5-11(25)26)21-17(30)14(18(31)32)20-8(3)24/h7,9-10,13-14,19,33H,4-6H2,1-3H3,(H,20,24)(H,21,30)(H,22,29)(H,23,28)(H,25,26)(H,31,32)/t9-,10-,13-,14+,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-1 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119238 (4-Methyl-2-[3-(naphthalen-1-yloxy)-propionylamino]...) Show SMILES CC(C)C[C@H](NC(=O)CCOc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O6/c1-14(2)12-17(22(28)25-18-13-21(27)31-23(18)29)24-20(26)10-11-30-19-9-5-7-15-6-3-4-8-16(15)19/h3-9,14,17-18,23,29H,10-13H2,1-2H3,(H,24,26)(H,25,28)/t17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50119245 (4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hy...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H28N4O11/c1-7(2)13(16(29)22-10-6-12(27)34-19(10)33)23-15(28)9(4-5-11(25)26)21-17(30)14(18(31)32)20-8(3)24/h7,9-10,13-14,19,33H,4-6H2,1-3H3,(H,20,24)(H,21,30)(H,22,29)(H,23,28)(H,25,26)(H,31,32)/t9-,10-,13-,14+,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-8 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119209 (2-[2-(Biphenyl-2-yloxy)-acetylamino]-4-methyl-pent...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C24H28N2O6/c1-15(2)12-18(23(29)26-19-13-22(28)32-24(19)30)25-21(27)14-31-20-11-7-6-10-17(20)16-8-4-3-5-9-16/h3-11,15,18-19,24,30H,12-14H2,1-2H3,(H,25,27)(H,26,29)/t18-,19-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119234 (4-Methyl-2-[2-(naphthalen-1-yloxy)-acetylamino]-pe...) Show SMILES CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H26N2O6/c1-13(2)10-16(21(27)24-17-11-20(26)30-22(17)28)23-19(25)12-29-18-9-5-7-14-6-3-4-8-15(14)18/h3-9,13,16-17,22,28H,10-12H2,1-2H3,(H,23,25)(H,24,27)/t16-,17-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119233 (CHEMBL101835 | {1-[1-(2-Hydroxy-5-oxo-tetrahydro-f...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C27H33N3O7/c1-17(2)13-20(24(32)29-22-15-23(31)37-26(22)34)28-25(33)21(14-18-9-5-3-6-10-18)30-27(35)36-16-19-11-7-4-8-12-19/h3-12,17,20-22,26,34H,13-16H2,1-2H3,(H,28,33)(H,29,32)(H,30,35)/t20-,21-,22-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-3 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119223 (2-[2-(2,4-Dichloro-naphthalen-1-yloxy)-acetylamino...) Show SMILES CC(C)C[C@H](NC(=O)COc1c(Cl)cc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H24Cl2N2O6/c1-11(2)7-16(21(29)26-17-9-19(28)32-22(17)30)25-18(27)10-31-20-13-6-4-3-5-12(13)14(23)8-15(20)24/h3-6,8,11,16-17,22,30H,7,9-10H2,1-2H3,(H,25,27)(H,26,29)/t16-,17-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-1				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119216 (4-Methyl-2-[2-(quinolin-8-yloxy)-acetylamino]-pent...) Show SMILES CC(C)C[C@H](NC(=O)COc1cccc2cccnc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H25N3O6/c1-12(2)9-14(20(27)24-15-10-18(26)30-21(15)28)23-17(25)11-29-16-7-3-5-13-6-4-8-22-19(13)16/h3-8,12,14-15,21,28H,9-11H2,1-2H3,(H,23,25)(H,24,27)/t14-,15-,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119213 (4-Methyl-2-[2-(5,6,7,8-tetrahydro-naphthalen-2-ylo...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccc2CCCCc2c1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H30N2O6/c1-13(2)9-17(21(27)24-18-11-20(26)30-22(18)28)23-19(25)12-29-16-8-7-14-5-3-4-6-15(14)10-16/h7-8,10,13,17-18,22,28H,3-6,9,11-12H2,1-2H3,(H,23,25)(H,24,27)/t17-,18-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119228 (4-Methyl-2-[2-(naphthalen-1-ylsulfanyl)-acetylamin...) Show SMILES CC(C)C[C@H](NC(=O)CSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H26N2O5S/c1-13(2)10-16(21(27)24-17-11-20(26)29-22(17)28)23-19(25)12-30-18-9-5-7-14-6-3-4-8-15(14)18/h3-9,13,16-17,22,28H,10-12H2,1-2H3,(H,23,25)(H,24,27)/t16-,17-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119226 (2-[2-(2-Cyclopentyl-phenoxy)-acetylamino]-4-methyl...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccccc1C1CCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H32N2O6/c1-14(2)11-17(22(28)25-18-12-21(27)31-23(18)29)24-20(26)13-30-19-10-6-5-9-16(19)15-7-3-4-8-15/h5-6,9-10,14-15,17-18,23,29H,3-4,7-8,11-13H2,1-2H3,(H,24,26)(H,25,28)/t17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119220 (2-[2-(2-Benzyloxy-phenoxy)-acetylamino]-4-methyl-p...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccccc1OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C25H30N2O7/c1-16(2)12-18(24(30)27-19-13-23(29)34-25(19)31)26-22(28)15-33-21-11-7-6-10-20(21)32-14-17-8-4-3-5-9-17/h3-11,16,18-19,25,31H,12-15H2,1-2H3,(H,26,28)(H,27,30)/t18-,19-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	222	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119230 (2-[2-(4-Chloro-naphthalen-1-yloxy)-acetylamino]-4-...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H25ClN2O6/c1-12(2)9-16(21(28)25-17-10-20(27)31-22(17)29)24-19(26)11-30-18-8-7-15(23)13-5-3-4-6-14(13)18/h3-8,12,16-17,22,29H,9-11H2,1-2H3,(H,24,26)(H,25,28)/t16-,17-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119251 (4-Methyl-2-[2-(quinolin-4-yloxy)-acetylamino]-pent...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccnc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H25N3O6/c1-12(2)9-15(20(27)24-16-10-19(26)30-21(16)28)23-18(25)11-29-17-7-8-22-14-6-4-3-5-13(14)17/h3-8,12,15-16,21,28H,9-11H2,1-2H3,(H,23,25)(H,24,27)/t15-,16-,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	232	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119214 (2-[2-(4-Methoxy-naphthalen-1-yloxy)-acetylamino]-4...) Show SMILES COc1ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC(=O)OC2O)c2ccccc12 Show InChI InChI=1S/C23H28N2O7/c1-13(2)10-16(22(28)25-17-11-21(27)32-23(17)29)24-20(26)12-31-19-9-8-18(30-3)14-6-4-5-7-15(14)19/h4-9,13,16-17,23,29H,10-12H2,1-3H3,(H,24,26)(H,25,28)/t16-,17-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	263	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119219 (4-Methyl-2-[2-(naphthalen-2-ylsulfanyl)-acetylamin...) Show SMILES CC(C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H26N2O5S/c1-13(2)9-17(21(27)24-18-11-20(26)29-22(18)28)23-19(25)12-30-16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18,22,28H,9,11-12H2,1-2H3,(H,23,25)(H,24,27)/t17-,18-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM50119238 (4-Methyl-2-[3-(naphthalen-1-yloxy)-propionylamino]...) Show SMILES CC(C)C[C@H](NC(=O)CCOc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O6/c1-14(2)12-17(22(28)25-18-13-21(27)31-23(18)29)24-20(26)10-11-30-19-9-5-7-15-6-3-4-8-16(15)19/h3-9,14,17-18,23,29H,10-13H2,1-2H3,(H,24,26)(H,25,28)/t17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	305	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration required against caspase-6				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119235 (2-[2-(Biphenyl-3-yloxy)-acetylamino]-4-methyl-pent...) Show SMILES CC(C)C[C@H](NC(=O)COc1cccc(c1)-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C24H28N2O6/c1-15(2)11-19(23(29)26-20-13-22(28)32-24(20)30)25-21(27)14-31-18-10-6-9-17(12-18)16-7-4-3-5-8-16/h3-10,12,15,19-20,24,30H,11,13-14H2,1-2H3,(H,25,27)(H,26,29)/t19-,20-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	311	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119224 (2-[2-(4-Cyclopentyl-phenoxy)-acetylamino]-4-methyl...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(cc1)C1CCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H32N2O6/c1-14(2)11-18(22(28)25-19-12-21(27)31-23(19)29)24-20(26)13-30-17-9-7-16(8-10-17)15-5-3-4-6-15/h7-10,14-15,18-19,23,29H,3-6,11-13H2,1-2H3,(H,24,26)(H,25,28)/t18-,19-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	319	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119247 (4-Methyl-2-[2-(5,6,7,8-tetrahydro-naphthalen-1-ylo...) Show SMILES CC(C)C[C@H](NC(=O)COc1cccc2CCCCc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H30N2O6/c1-13(2)10-16(21(27)24-17-11-20(26)30-22(17)28)23-19(25)12-29-18-9-5-7-14-6-3-4-8-15(14)18/h5,7,9,13,16-17,22,28H,3-4,6,8,10-12H2,1-2H3,(H,23,25)(H,24,27)/t16-,17-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119227 (2-[2-(4-Benzyl-phenoxy)-acetylamino]-4-methyl-pent...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(Cc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C25H30N2O6/c1-16(2)12-20(24(30)27-21-14-23(29)33-25(21)31)26-22(28)15-32-19-10-8-18(9-11-19)13-17-6-4-3-5-7-17/h3-11,16,20-21,25,31H,12-15H2,1-2H3,(H,26,28)(H,27,30)/t20-,21-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	346	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119223 (2-[2-(2,4-Dichloro-naphthalen-1-yloxy)-acetylamino...) Show SMILES CC(C)C[C@H](NC(=O)COc1c(Cl)cc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H24Cl2N2O6/c1-11(2)7-16(21(29)26-17-9-19(28)32-22(17)30)25-18(27)10-31-20-13-6-4-3-5-12(13)14(23)8-15(20)24/h3-6,8,11,16-17,22,30H,7,9-10H2,1-2H3,(H,25,27)(H,26,29)/t16-,17-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119239 (4-Methyl-2-[2-(2-methyl-naphthalen-1-yloxy)-acetyl...) Show SMILES CC(C)C[C@H](NC(=O)COc1c(C)ccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O6/c1-13(2)10-17(22(28)25-18-11-20(27)31-23(18)29)24-19(26)12-30-21-14(3)8-9-15-6-4-5-7-16(15)21/h4-9,13,17-18,23,29H,10-12H2,1-3H3,(H,24,26)(H,25,28)/t17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119232 (4-Methyl-2-[2-(naphthalen-1-yloxy)-propionylamino]...) Show SMILES CC(C)C[C@H](NC(=O)C(C)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O6/c1-13(2)11-17(22(28)25-18-12-20(26)31-23(18)29)24-21(27)14(3)30-19-10-6-8-15-7-4-5-9-16(15)19/h4-10,13-14,17-18,23,29H,11-12H2,1-3H3,(H,24,27)(H,25,28)/t14?,17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	376	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119244 (2-[2-(Isoquinolin-5-yloxy)-acetylamino]-4-methyl-p...) Show SMILES CC(C)C[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H25N3O6/c1-12(2)8-15(20(27)24-16-9-19(26)30-21(16)28)23-18(25)11-29-17-5-3-4-13-10-22-7-6-14(13)17/h3-7,10,12,15-16,21,28H,8-9,11H2,1-2H3,(H,23,25)(H,24,27)/t15-,16-,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	407	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119240 (4-Methyl-2-(3-naphthalen-1-yl-3-oxo-propionylamino...) Show SMILES CC(C)C[C@H](NC(=O)CC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H26N2O6/c1-13(2)10-17(22(29)25-18-11-21(28)31-23(18)30)24-20(27)12-19(26)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,17-18,23,30H,10-12H2,1-2H3,(H,24,27)(H,25,29)/t17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	408	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-1				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119253 (4-Methyl-2-[3-(naphthalen-1-ylsulfanyl)-propionyla...) Show SMILES CC(C)C[C@H](NC(=O)CCSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O5S/c1-14(2)12-17(22(28)25-18-13-21(27)30-23(18)29)24-20(26)10-11-31-19-9-5-7-15-6-3-4-8-16(15)19/h3-9,14,17-18,23,29H,10-13H2,1-2H3,(H,24,26)(H,25,28)/t17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119215 (4-Methyl-2-[2-(quinolin-5-yloxy)-acetylamino]-pent...) Show SMILES CC(C)C[C@H](NC(=O)COc1cccc2ncccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H25N3O6/c1-12(2)9-15(20(27)24-16-10-19(26)30-21(16)28)23-18(25)11-29-17-7-3-6-14-13(17)5-4-8-22-14/h3-8,12,15-16,21,28H,9-11H2,1-2H3,(H,23,25)(H,24,27)/t15-,16-,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119217 (4-Methyl-2-(3-phenoxy-propionylamino)-pentanoic ac...) Show SMILES CC(C)C[C@H](NC(=O)CCOc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H26N2O6/c1-12(2)10-14(18(24)21-15-11-17(23)27-19(15)25)20-16(22)8-9-26-13-6-4-3-5-7-13/h3-7,12,14-15,19,25H,8-11H2,1-2H3,(H,20,22)(H,21,24)/t14-,15-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	419	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119230 (2-[2-(4-Chloro-naphthalen-1-yloxy)-acetylamino]-4-...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H25ClN2O6/c1-12(2)9-16(21(28)25-17-10-20(27)31-22(17)29)24-19(26)11-30-18-8-7-15(23)13-5-3-4-6-14(13)18/h3-8,12,16-17,22,29H,9-11H2,1-2H3,(H,24,26)(H,25,28)/t16-,17-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	429	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-1				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119222 (2-[2-(2-Adamantan-1-yl-4-methyl-phenoxy)-acetylami...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(C)cc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O |TLB:24:23:26:18.19.20,THB:22:23:18:26.21.20| Show InChI InChI=1S/C29H40N2O6/c1-16(2)6-22(27(34)31-23-11-26(33)37-28(23)35)30-25(32)15-36-24-5-4-17(3)7-21(24)29-12-18-8-19(13-29)10-20(9-18)14-29/h4-5,7,16,18-20,22-23,28,35H,6,8-15H2,1-3H3,(H,30,32)(H,31,34)/t18?,19?,20?,22-,23-,28?,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	474	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119236 (2-[2-(2-Benzyl-phenoxy)-acetylamino]-4-methyl-pent...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C25H30N2O6/c1-16(2)12-19(24(30)27-20-14-23(29)33-25(20)31)26-22(28)15-32-21-11-7-6-10-18(21)13-17-8-4-3-5-9-17/h3-11,16,19-20,25,31H,12-15H2,1-2H3,(H,26,28)(H,27,30)/t19-,20-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119236 (2-[2-(2-Benzyl-phenoxy)-acetylamino]-4-methyl-pent...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C25H30N2O6/c1-16(2)12-19(24(30)27-20-14-23(29)33-25(20)31)26-22(28)15-32-21-11-7-6-10-18(21)13-17-8-4-3-5-9-17/h3-11,16,19-20,25,31H,12-15H2,1-2H3,(H,26,28)(H,27,30)/t19-,20-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	521	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-1				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119221 (2-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-4-met...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O |TLB:23:22:25:17.18.19,THB:21:22:17:25.20.19| Show InChI InChI=1S/C28H38N2O6/c1-16(2)7-22(26(33)30-23-11-25(32)36-27(23)34)29-24(31)15-35-21-5-3-20(4-6-21)28-12-17-8-18(13-28)10-19(9-17)14-28/h3-6,16-19,22-23,27,34H,7-15H2,1-2H3,(H,29,31)(H,30,33)/t17?,18?,19?,22-,23-,27?,28?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	528	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119226 (2-[2-(2-Cyclopentyl-phenoxy)-acetylamino]-4-methyl...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccccc1C1CCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H32N2O6/c1-14(2)11-17(22(28)25-18-12-21(27)31-23(18)29)24-20(26)13-30-19-10-6-5-9-16(19)15-7-3-4-8-15/h5-6,9-10,14-15,17-18,23,29H,3-4,7-8,11-13H2,1-2H3,(H,24,26)(H,25,28)/t17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	538	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-1				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119248 (4-Methyl-2-(3-naphthalen-2-yl-3-oxo-propionylamino...) Show SMILES CC(C)C[C@H](NC(=O)CC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H26N2O6/c1-13(2)9-17(22(29)25-18-11-21(28)31-23(18)30)24-20(27)12-19(26)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18,23,30H,9,11-12H2,1-2H3,(H,24,27)(H,25,29)/t17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	543	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-1				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119208 (4-Methyl-2-[2-(4-phenoxy-phenoxy)-acetylamino]-pen...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C24H28N2O7/c1-15(2)12-19(23(29)26-20-13-22(28)33-24(20)30)25-21(27)14-31-16-8-10-18(11-9-16)32-17-6-4-3-5-7-17/h3-11,15,19-20,24,30H,12-14H2,1-2H3,(H,25,27)(H,26,29)/t19-,20-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	545	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119253 (4-Methyl-2-[3-(naphthalen-1-ylsulfanyl)-propionyla...) Show SMILES CC(C)C[C@H](NC(=O)CCSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O5S/c1-14(2)12-17(22(28)25-18-13-21(27)30-23(18)29)24-20(26)10-11-31-19-9-5-7-15-6-3-4-8-16(15)19/h3-9,14,17-18,23,29H,10-13H2,1-2H3,(H,24,26)(H,25,28)/t17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	563	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-1				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119234 (4-Methyl-2-[2-(naphthalen-1-yloxy)-acetylamino]-pe...) Show SMILES CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H26N2O6/c1-13(2)10-16(21(27)24-17-11-20(26)30-22(17)28)23-19(25)12-29-18-9-5-7-14-6-3-4-8-15(14)18/h3-9,13,16-17,22,28H,10-12H2,1-2H3,(H,23,25)(H,24,27)/t16-,17-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-1				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119252 (2-[2-(4-Benzyloxy-phenoxy)-acetylamino]-4-methyl-p...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C25H30N2O7/c1-16(2)12-20(24(30)27-21-13-23(29)34-25(21)31)26-22(28)15-33-19-10-8-18(9-11-19)32-14-17-6-4-3-5-7-17/h3-11,16,20-21,25,31H,12-15H2,1-2H3,(H,26,28)(H,27,30)/t20-,21-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against caspase-3				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119204 (4-Methyl-2-[3-(naphthalen-2-ylsulfanyl)-propionyla...) Show SMILES CC(C)C[C@H](NC(=O)CCSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O5S/c1-14(2)11-18(22(28)25-19-13-21(27)30-23(19)29)24-20(26)9-10-31-17-8-7-15-5-3-4-6-16(15)12-17/h3-8,12,14,18-19,23,29H,9-11,13H2,1-2H3,(H,24,26)(H,25,28)/t18-,19-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	611	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-1				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119209 (2-[2-(Biphenyl-2-yloxy)-acetylamino]-4-methyl-pent...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C24H28N2O6/c1-15(2)12-18(23(29)26-19-13-22(28)32-24(19)30)25-21(27)14-31-20-11-7-6-10-17(20)16-8-4-3-5-9-16/h3-11,15,18-19,24,30H,12-14H2,1-2H3,(H,25,27)(H,26,29)/t18-,19-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	636	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-1				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 257 total )  |  Next  |  Last  >>

Jump to: