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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 = 'BDBM50436347'   
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))		BDBM50436347
PNG
(CHEMBL2398812)
Show SMILES Cc1ccc([C@@H]2OC[C@]3(C)[C@H](CC[C@@]4(C)[C@H]3C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc5cc(oc(=O)c5[C@H](O)[C@H]43)-c3cccnc3)O2)c(C)c1 |r|
Show InChI InChI=1S/C42H42N2O8/c1-23-8-13-28(24(2)17-23)39-48-22-41(4)31-19-33(50-37(46)26-11-9-25(20-43)10-12-26)42(5)36(40(31,3)15-14-32(41)51-39)35(45)34-30(52-42)18-29(49-38(34)47)27-7-6-16-44-21-27/h6-13,16-18,21,31-33,35-36,39,45H,14-15,19,22H2,1-5H3/t31-,32+,33+,35+,36-,39-,40+,41+,42-/m1/s1
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Similars
Article
PubMed
n/an/a 6.60n/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)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair