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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 = 'BDBM50436339'   
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))		BDBM50436339
PNG
(CHEMBL2396678)
Show SMILES COc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H41NO9/c1-38-17-16-30-39(2,22-46-37(49-30)24-9-6-5-7-10-24)29(38)20-31(48-35(43)23-12-14-26(45-4)15-13-23)40(3)34(38)33(42)32-28(50-40)19-27(47-36(32)44)25-11-8-18-41-21-25/h5-15,18-19,21,29-31,33-34,37,42H,16-17,20,22H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
PDB

UniProtKB/SwissProt

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Similars
Article
PubMed
n/an/a 14n/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