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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 = 'BDBM50436345'   
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))		BDBM50436345
PNG
(CHEMBL2398814)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C44H40N2O8/c1-42-18-17-34-43(2,24-50-41(53-34)30-12-6-9-26-8-4-5-11-29(26)30)33(42)21-35(52-39(48)27-15-13-25(22-45)14-16-27)44(3)38(42)37(47)36-32(54-44)20-31(51-40(36)49)28-10-7-19-46-23-28/h4-16,19-20,23,33-35,37-38,41,47H,17-18,21,24H2,1-3H3/t33-,34+,35+,37+,38-,41-,42+,43+,44-/m1/s1
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Similars
Article
PubMed
n/an/a 23n/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