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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 = 'BDBM50429575'   
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))
BDBM50429575
PNG
(CHEMBL2334214)
Show SMILES COc1ccc(cc1F)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H40FNO11/c1-19(40)46-18-36(4)27-16-29(49-33(43)21-9-10-24(45-6)23(38)14-21)37(5)32(35(27,3)12-11-28(36)47-20(2)41)31(42)30-26(50-37)15-25(48-34(30)44)22-8-7-13-39-17-22/h7-10,13-15,17,27-29,31-32,42H,11-12,16,18H2,1-6H3/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 6.10n/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