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BDBM50033967 1-(2-Butoxy-ethyl)-3-(2,4-difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-urea::CHEMBL268478

SMILES: CCCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=BJILKFRCDKDPMR-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033967   
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)
BDBM50033967
PNG
(1-(2-Butoxy-ethyl)-3-(2,4-difluoro-phenyl)-1-[5-(4...)
Show SMILES CCCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C33H38F2N4O2S/c1-2-3-21-41-22-20-39(33(40)36-29-18-17-27(34)24-28(29)35)19-11-6-12-23-42-32-37-30(25-13-7-4-8-14-25)31(38-32)26-15-9-5-10-16-26/h4-5,7-10,13-18,24H,2-3,6,11-12,19-23H2,1H3,(H,36,40)(H,37,38)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 70n/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