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BDBM50033953 3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-1-(2-morpholin-4-yl-ethyl)-urea::CHEMBL418529

SMILES: Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CCN2CCOCC2)c(F)c1

InChI Key: InChIKey=RZMLTZOLNVZUSC-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 = 50033953   
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)
BDBM50033953
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CCN2CCOCC2)c(F)c1
Show InChI InChI=1S/C33H37F2N5O2S/c34-27-14-15-29(28(35)24-27)36-33(41)40(18-17-39-19-21-42-22-20-39)16-8-3-9-23-43-32-37-30(25-10-4-1-5-11-25)31(38-32)26-12-6-2-7-13-26/h1-2,4-7,10-15,24H,3,8-9,16-23H2,(H,36,41)(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