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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 = 'BDBM50436350'   
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))		BDBM50436350
PNG
(CHEMBL2398809)
Show SMILES Cc1ccc(cc1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|
Show InChI InChI=1S/C40H40FNO8/c1-22-7-9-24(10-8-22)37-46-21-39(3)29-19-31(48-35(44)23-11-13-26(41)14-12-23)40(4)34(38(29,2)16-15-30(39)49-37)33(43)32-28(50-40)18-27(47-36(32)45)25-6-5-17-42-20-25/h5-14,17-18,20,29-31,33-34,37,43H,15-16,19,21H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
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Similars
Article
PubMed
n/an/a 15n/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