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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 1' and Ligand = 'BDBM50360306'   
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
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50360306
PNG
(CHEMBL505016)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
Show InChI InChI=1S/C33H45N3O5/c1-6-8-15-22(4)26-20-27(37)35-30(28(24-16-11-9-12-17-24)25-18-13-10-14-19-25)32(39)34-23(5)31(38)36-29(21(3)7-2)33(40)41-26/h9-14,16-19,21-23,26,28-30H,6-8,15,20H2,1-5H3,(H,34,39)(H,35,37)(H,36,38)/t21-,22-,23-,26-,29+,30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1- mediated cholesteryl ester synthesis in macrophages


Bioorg Med Chem Lett 22: 696-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.045
BindingDB Entry DOI: 10.7270/Q2ZC839D
More data for this
Ligand-Target Pair