Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA:cholesterol acyltransferase' and Ligand = 'BDBM50051884'   

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
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051884 (1-[5-(4,5-Diphenyl-1H-imidazole-2-sulfinyl)-pentyl...) Show SMILES Cc1cc(C)n(CCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 Show InChI InChI=1S/C25H28N4OS/c1-19-18-20(2)29(28-19)16-10-5-11-17-31(30)25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit liver Acyl coenzyme A:choleste...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051884 (1-[5-(4,5-Diphenyl-1H-imidazole-2-sulfinyl)-pentyl...) Show SMILES Cc1cc(C)n(CCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 Show InChI InChI=1S/C25H28N4OS/c1-19-18-20(2)29(28-19)16-10-5-11-17-31(30)25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in microsomes from rabbit intestine.				Bioorg Med Chem Lett 6: 47-50 (1996) Article DOI: 10.1016/0960-894X(95)00555-8 BindingDB Entry DOI: 10.7270/Q2N29WXG
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051884 (1-[5-(4,5-Diphenyl-1H-imidazole-2-sulfinyl)-pentyl...) Show SMILES Cc1cc(C)n(CCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 Show InChI InChI=1S/C25H28N4OS/c1-19-18-20(2)29(28-19)16-10-5-11-17-31(30)25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit artery Acyl coenzyme A:cholest...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051884 (1-[5-(4,5-Diphenyl-1H-imidazole-2-sulfinyl)-pentyl...) Show SMILES Cc1cc(C)n(CCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 Show InChI InChI=1S/C25H28N4OS/c1-19-18-20(2)29(28-19)16-10-5-11-17-31(30)25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in microsomes from rabbit intestine.				Bioorg Med Chem Lett 6: 47-50 (1996) Article DOI: 10.1016/0960-894X(95)00555-8 BindingDB Entry DOI: 10.7270/Q2N29WXG
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051884 (1-[5-(4,5-Diphenyl-1H-imidazole-2-sulfinyl)-pentyl...) Show SMILES Cc1cc(C)n(CCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 Show InChI InChI=1S/C25H28N4OS/c1-19-18-20(2)29(28-19)16-10-5-11-17-31(30)25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in microsomes from rabbit artery.				Bioorg Med Chem Lett 6: 47-50 (1996) Article DOI: 10.1016/0960-894X(95)00555-8 BindingDB Entry DOI: 10.7270/Q2N29WXG
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051884 (1-[5-(4,5-Diphenyl-1H-imidazole-2-sulfinyl)-pentyl...) Show SMILES Cc1cc(C)n(CCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 Show InChI InChI=1S/C25H28N4OS/c1-19-18-20(2)29(28-19)16-10-5-11-17-31(30)25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in microsomes from rabbit adrenal.				Bioorg Med Chem Lett 6: 47-50 (1996) Article DOI: 10.1016/0960-894X(95)00555-8 BindingDB Entry DOI: 10.7270/Q2N29WXG
					More data for this Ligand-Target Pair