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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 = 'BDBM50429588'   
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))		BDBM50429588
PNG
(CHEMBL2334201)
Show SMILES CSc1cccc(c1)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 |r|
Show InChI InChI=1S/C37H41NO10S/c1-20(39)44-19-36(4)27-17-29(47-33(42)22-9-7-11-24(15-22)49-6)37(5)32(35(27,3)13-12-28(36)45-21(2)40)31(41)30-26(48-37)16-25(46-34(30)43)23-10-8-14-38-18-23/h7-11,14-16,18,27-29,31-32,41H,12-13,17,19H2,1-6H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1
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Article
PubMed
n/an/a 9n/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