BindingDB logo
myBDB logout

BDBM50033956 3-(2,4-Difluoro-phenyl)-1-[5-(4,5-di-furan-2-yl-1H-imidazol-2-ylsulfanyl)-pentyl]-1-heptyl-urea::CHEMBL10916

SMILES: CCCCCCCN(CCCCCSc1nc(-c2ccco2)c([nH]1)-c1ccco1)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=LUDKRAGVPBOQGC-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 = 50033956   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sterol O-acyltransferase, Soat


(Rattus norvegicus)		BDBM50033956
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-di-furan-2-yl-1H...)
Show SMILES CCCCCCCN(CCCCCSc1nc(-c2ccco2)c([nH]1)-c1ccco1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C30H36F2N4O3S/c1-2-3-4-5-7-16-36(30(37)33-24-15-14-22(31)21-23(24)32)17-8-6-9-20-40-29-34-27(25-12-10-18-38-25)28(35-29)26-13-11-19-39-26/h10-15,18-19,21H,2-9,16-17,20H2,1H3,(H,33,37)(H,34,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 200n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.

J Med Chem 38: 1067-83 (1995)


BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair