BDBM50038905 1-[4-(2-Chloro-phenyl)-6-isopropyl-quinolin-3-yl]-3-(2,4-difluoro-phenyl)-urea::CHEMBL65108

SMILES: CC(C)c1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1

InChI Key: InChIKey=CMBTZKNNZJTRRF-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 = 50038905   

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
Sterol O-acyltransferase, Soat (Rattus norvegicus)	BDBM50038905 (1-[4-(2-Chloro-phenyl)-6-isopropyl-quinolin-3-yl]-...) Show SMILES CC(C)c1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1 |(4.98,-2.01,;6.32,-2.76,;6.33,-4.3,;7.65,-1.99,;7.65,-.44,;8.98,.33,;10.32,-.44,;11.64,.34,;12.98,-.43,;12.98,-1.97,;14.33,-2.74,;15.66,-1.97,;15.64,-.43,;16.99,-2.73,;16.99,-4.27,;15.66,-5.04,;15.68,-6.58,;17.02,-7.33,;17.03,-8.87,;18.35,-6.56,;18.34,-5.02,;19.67,-4.23,;11.65,-2.75,;11.65,-4.29,;10.32,-5.05,;10.32,-6.59,;11.65,-7.36,;13,-6.58,;13,-5.05,;14.49,-5.44,;10.32,-1.98,;8.99,-2.74,)| Show InChI InChI=1S/C25H20ClF2N3O/c1-14(2)15-7-9-21-18(11-15)24(17-5-3-4-6-19(17)26)23(13-29-21)31-25(32)30-22-10-8-16(27)12-20(22)28/h3-14H,1-2H3,(H2,30,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes				J Med Chem 37: 2079-84 (1994) BindingDB Entry DOI: 10.7270/Q23F4NPC
					More data for this Ligand-Target Pair