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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 2 (ACAT2)' and Ligand = 'BDBM50429593'   
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 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429593
PNG
(CHEMBL2334196)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(C)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H41NO10/c1-20-9-7-10-23(15-20)33(42)47-29-17-27-35(4,13-12-28(45-22(3)40)36(27,5)19-44-21(2)39)32-31(41)30-26(48-37(29,32)6)16-25(46-34(30)43)24-11-8-14-38-18-24/h7-11,14-16,18,27-29,31-32,41H,12-13,17,19H2,1-6H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Bioorg Med Chem Lett 23: 1285-7 (2013)

More data for this
Ligand-Target Pair