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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 = 'BDBM50450324'   
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)
BDBM50450324
PNG
(CHEMBL45913)
Show SMILES CCCCCCN(CCCCCSc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)NC(C)C
Show InChI InChI=1S/C22H38N6O3S/c1-6-7-8-10-13-28(21(30)23-16(2)3)14-11-9-12-15-32-20-24-17-18(25-20)26(4)22(31)27(5)19(17)29/h16H,6-15H2,1-5H3,(H,23,30)(H,24,25)
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
n/an/a 1.53E+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