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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 = 'BDBM50436337'   
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))		BDBM50436337
PNG
(CHEMBL2396680)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1cccc(c1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H38N2O8/c1-38-15-14-30-39(2,22-46-37(49-30)24-10-5-4-6-11-24)29(38)19-31(48-35(44)25-12-7-9-23(17-25)20-41)40(3)34(38)33(43)32-28(50-40)18-27(47-36(32)45)26-13-8-16-42-21-26/h4-13,16-18,21,29-31,33-34,37,43H,14-15,19,22H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.20E+3n/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