BDBM50038915 1-[4-(2-Chloro-phenyl)-6,8-dimethyl-quinolin-3-yl]-3-(2,4,6-trifluoro-phenyl)-urea::CHEMBL304930

SMILES: Cc1cc(C)c2ncc(NC(=O)Nc3c(F)cc(F)cc3F)c(-c3ccccc3Cl)c2c1

InChI Key: InChIKey=SJMJDMQSMSNGSP-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 = 50038915   

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)	BDBM50038915 (1-[4-(2-Chloro-phenyl)-6,8-dimethyl-quinolin-3-yl]...) Show SMILES Cc1cc(C)c2ncc(NC(=O)Nc3c(F)cc(F)cc3F)c(-c3ccccc3Cl)c2c1 |(.85,-3.29,;2.18,-2.5,;2.18,-.96,;3.51,-.19,;3.5,1.35,;4.84,-.96,;6.17,-.17,;7.5,-.94,;7.51,-2.5,;8.85,-3.25,;10.18,-2.48,;10.17,-.94,;11.51,-3.25,;11.53,-4.79,;12.86,-5.54,;14.19,-4.76,;12.88,-7.08,;11.55,-7.86,;11.56,-9.4,;10.2,-7.1,;10.2,-5.56,;8.7,-5.95,;6.18,-3.27,;6.18,-4.81,;7.52,-5.58,;7.52,-7.1,;6.18,-7.89,;4.84,-7.12,;4.84,-5.58,;3.51,-4.81,;4.84,-2.5,;3.51,-3.27,)| Show InChI InChI=1S/C24H17ClF3N3O/c1-12-7-13(2)22-16(8-12)21(15-5-3-4-6-17(15)25)20(11-29-22)30-24(32)31-23-18(27)9-14(26)10-19(23)28/h3-11H,1-2H3,(H2,30,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	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