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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 2' and Ligand = 'BDBM50429610'   
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 2


(Homo sapiens (Human))		BDBM50429610
PNG
(CHEMBL2334222)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
Show InChI InChI=1S/C37H41NO10/c1-20-9-11-23(12-10-20)33(42)47-29-17-27-35(4,14-13-28(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)24-8-7-15-38-18-24/h7-12,15-16,18,27-29,31-32,41H,13-14,17,19H2,1-6H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1
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Similars
Article
PubMed
n/an/a 0.900n/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)


Article DOI: 10.1016/j.bmcl.2012.12.099
BindingDB Entry DOI: 10.7270/Q2P270HW
More data for this
Ligand-Target Pair