BDBM50038925 1-[4-(2-Chloro-phenyl)-5-methyl-quinolin-3-yl]-3-(2,4-difluoro-phenyl)-urea::CHEMBL433299

SMILES: Cc1cccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c12

InChI Key: InChIKey=NXKIDZWZKSAHSH-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 = 50038925   

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)	BDBM50038925 (1-[4-(2-Chloro-phenyl)-5-methyl-quinolin-3-yl]-3-(...) Show SMILES Cc1cccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c12 |(1.78,-4.99,;1.77,-3.45,;.43,-2.69,;.43,-1.15,;1.76,-.38,;3.1,-1.15,;4.42,-.37,;5.76,-1.13,;5.77,-2.68,;7.1,-3.44,;8.43,-2.67,;8.43,-1.13,;9.78,-3.44,;9.78,-4.98,;8.45,-5.75,;8.45,-7.29,;9.81,-8.05,;9.81,-9.59,;11.14,-7.26,;11.11,-5.72,;12.44,-4.95,;4.44,-3.46,;4.44,-5,;3.1,-5.76,;3.1,-7.3,;4.44,-8.06,;5.77,-7.29,;5.79,-5.76,;7.33,-5.76,;3.1,-2.69,)| Show InChI InChI=1S/C23H16ClF2N3O/c1-13-5-4-8-19-21(13)22(15-6-2-3-7-16(15)24)20(12-27-19)29-23(30)28-18-10-9-14(25)11-17(18)26/h2-12H,1H3,(H2,28,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	149	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