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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 = 'BDBM50450323'   
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)
BDBM50450323
PNG
(CHEMBL46017)
Show SMILES CCCCCCN(CCCCCSc1nc2cc(C)ccc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N4OS/c1-3-4-5-7-14-32(26(33)31-22-13-11-20(27)18-21(22)28)15-8-6-9-16-34-25-29-23-12-10-19(2)17-24(23)30-25/h10-13,17-18H,3-9,14-16H2,1-2H3,(H,29,30)(H,31,33)
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Similars

n/an/a 2.06E+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