BDBM50038916 1-[6-Chloro-4-(2-methoxy-phenyl)-quinolin-3-yl]-3-(2,4-difluoro-phenyl)-urea::CHEMBL291356

SMILES: COc1ccccc1-c1c(NC(=O)Nc2ccc(F)cc2F)cnc2ccc(Cl)cc12

InChI Key: InChIKey=XDEWGXGKJLWMTJ-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 = 50038916   

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)	BDBM50038916 (1-[6-Chloro-4-(2-methoxy-phenyl)-quinolin-3-yl]-3-...) Show SMILES COc1ccccc1-c1c(NC(=O)Nc2ccc(F)cc2F)cnc2ccc(Cl)cc12 |(7.14,-4.74,;8.24,-3.66,;9.57,-4.43,;9.57,-5.97,;10.9,-6.74,;12.23,-5.96,;12.25,-4.43,;10.9,-3.67,;10.9,-2.13,;12.23,-1.35,;13.56,-2.11,;14.89,-1.34,;14.89,.2,;16.24,-2.11,;16.25,-3.65,;14.92,-4.42,;14.92,-5.96,;16.27,-6.72,;16.27,-8.26,;17.6,-5.93,;17.58,-4.39,;18.91,-3.62,;12.23,.2,;10.88,.96,;9.57,.18,;8.22,.95,;6.89,.18,;6.89,-1.36,;5.56,-2.13,;8.24,-2.12,;9.57,-1.36,)| Show InChI InChI=1S/C23H16ClF2N3O2/c1-31-21-5-3-2-4-15(21)22-16-10-13(24)6-8-18(16)27-12-20(22)29-23(30)28-19-9-7-14(25)11-17(19)26/h2-12H,1H3,(H2,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	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