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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 1' and Ligand = 'BDBM50436348'   
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 1


(Homo sapiens (Human))		BDBM50436348
PNG
(CHEMBL2398811)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1F |r|
Show InChI InChI=1S/C40H37FN2O8/c1-38-15-14-30-39(2,21-47-37(50-30)25-8-4-5-9-26(25)41)29(38)18-31(49-35(45)23-12-10-22(19-42)11-13-23)40(3)34(38)33(44)32-28(51-40)17-27(48-36(32)46)24-7-6-16-43-20-24/h4-13,16-17,20,29-31,33-34,37,44H,14-15,18,21H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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PC cid
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Similars
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (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