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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl coenzyme A:cholesterol acyltransferase 1' and Ligand = 'BDBM50037635'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50037635
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1-methyl-4,...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c(-c2ccccc2)n1C)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C35H42F2N4OS/c1-3-4-5-6-14-23-41(34(42)38-31-22-21-29(36)26-30(31)37)24-15-9-16-25-43-35-39-32(27-17-10-7-11-18-27)33(40(35)2)28-19-12-8-13-20-28/h7-8,10-13,17-22,26H,3-6,9,14-16,23-25H2,1-2H3,(H,38,42)
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Similars

n/an/a 3.80E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair