BDBM50454956 CHEMBL312798

SMILES: CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccccc1)Cc1cccc(c1)-c1ccn(C)n1

InChI Key: InChIKey=NMFQRVZBCBUDHR-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50454956   

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
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50454956 (CHEMBL312798) Show SMILES CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccccc1)Cc1cccc(c1)-c1ccn(C)n1 Show InChI InChI=1S/C27H29N5OS2/c1-19-15-24(34-3)25(26(28-19)35-4)29-27(33)32(17-20-9-6-5-7-10-20)18-21-11-8-12-22(16-21)23-13-14-31(2)30-23/h5-16H,17-18H2,1-4H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase (ACAT) in rabbit intestinal microsomes				J Med Chem 41: 2390-410 (1998) Article DOI: 10.1021/jm9800853 BindingDB Entry DOI: 10.7270/Q2MW2G7V
					More data for this Ligand-Target Pair