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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 = 'BDBM50433212'   
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))		BDBM50433212
PNG
(CHEMBL2375705)
Show SMILES CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r|
Show InChI InChI=1S/C38H40N2O10/c1-6-30(42)48-28-13-14-36(3)27(37(28,4)20-46-21(2)41)17-29(49-34(44)23-11-9-22(18-39)10-12-23)38(5)33(36)32(43)31-26(50-38)16-25(47-35(31)45)24-8-7-15-40-19-24/h7-12,15-16,19,27-29,32-33,43H,6,13-14,17,20H2,1-5H3/t27-,28+,29+,32+,33-,36+,37+,38-/m1/s1
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Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)

Bioorg Med Chem Lett 23: 2659-62 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3
More data for this
Ligand-Target Pair