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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 = 'BDBM50429590'   
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))
BDBM50429590
PNG
(CHEMBL2334199)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)N=[N+]=[N-])[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H38N4O10/c1-19(41)46-18-35(4)26-16-28(49-32(44)21-8-10-23(11-9-21)39-40-37)36(5)31(34(26,3)13-12-27(35)47-20(2)42)30(43)29-25(50-36)15-24(48-33(29)45)22-7-6-14-38-17-22/h6-11,14-15,17,26-28,30-31,43H,12-13,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/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