Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 10339   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-3 (Homo sapiens (Human))	BDBM10339 ((S)-1-Methyl-5-(2-phenoxymethyl-azetidine-1-sulfon...) Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C19H18N2O5S/c1-20-17-8-7-15(11-16(17)18(22)19(20)23)27(24,25)21-10-9-13(21)12-26-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/t13-/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	91.2	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of caspase3				Bioorg Med Chem 20: 5410-5 (2012) Article DOI: 10.1016/j.bmc.2012.03.041 BindingDB Entry DOI: 10.7270/Q2GF0VTJ
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10339 ((S)-1-Methyl-5-(2-phenoxymethyl-azetidine-1-sulfon...) Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C19H18N2O5S/c1-20-17-8-7-15(11-16(17)18(22)19(20)23)27(24,25)21-10-9-13(21)12-26-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/t13-/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	91.7	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine					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: 7637-47 (2005) Article DOI: 10.1021/jm0506625 BindingDB Entry DOI: 10.7270/Q2V40SDN
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10339 ((S)-1-Methyl-5-(2-phenoxymethyl-azetidine-1-sulfon...) Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C19H18N2O5S/c1-20-17-8-7-15(11-16(17)18(22)19(20)23)27(24,25)21-10-9-13(21)12-26-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/t13-/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	363	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine					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: 7637-47 (2005) Article DOI: 10.1021/jm0506625 BindingDB Entry DOI: 10.7270/Q2V40SDN
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM10339 ((S)-1-Methyl-5-(2-phenoxymethyl-azetidine-1-sulfon...) Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C19H18N2O5S/c1-20-17-8-7-15(11-16(17)18(22)19(20)23)27(24,25)21-10-9-13(21)12-26-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/t13-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine					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: 7637-47 (2005) Article DOI: 10.1021/jm0506625 BindingDB Entry DOI: 10.7270/Q2V40SDN
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM10339 ((S)-1-Methyl-5-(2-phenoxymethyl-azetidine-1-sulfon...) Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C19H18N2O5S/c1-20-17-8-7-15(11-16(17)18(22)19(20)23)27(24,25)21-10-9-13(21)12-26-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine					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: 7637-47 (2005) Article DOI: 10.1021/jm0506625 BindingDB Entry DOI: 10.7270/Q2V40SDN
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10339 ((S)-1-Methyl-5-(2-phenoxymethyl-azetidine-1-sulfon...) Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C19H18N2O5S/c1-20-17-8-7-15(11-16(17)18(22)19(20)23)27(24,25)21-10-9-13(21)12-26-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/t13-/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine					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: 7637-47 (2005) Article DOI: 10.1021/jm0506625 BindingDB Entry DOI: 10.7270/Q2V40SDN
					More data for this Ligand-Target Pair