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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 = 'BDBM50436328'   
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))
BDBM50436328
PNG
(CHEMBL2398804)
Show SMILES Cc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C41H40N2O8/c1-23-8-5-6-10-27(23)38-47-22-40(3)30-19-32(49-36(45)25-13-11-24(20-42)12-14-25)41(4)35(39(30,2)16-15-31(40)50-38)34(44)33-29(51-41)18-28(48-37(33)46)26-9-7-17-43-21-26/h5-14,17-18,21,30-32,34-35,38,44H,15-16,19,22H2,1-4H3/t30-,31+,32+,34+,35-,38-,39+,40+,41-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)

More data for this
Ligand-Target Pair