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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 = 'BDBM50433206'   
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))
BDBM50433206
PNG
(CHEMBL2375707)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(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)OC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C42H40N2O10/c1-24(45)50-23-41(3)31-20-33(53-38(48)27-14-12-25(21-43)13-15-27)42(4)36(40(31,2)17-16-32(41)52-37(47)26-9-6-5-7-10-26)35(46)34-30(54-42)19-29(51-39(34)49)28-11-8-18-44-22-28/h5-15,18-19,22,31-33,35-36,46H,16-17,20,23H2,1-4H3/t31-,32+,33+,35+,36-,40+,41+,42-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.60n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 2659-62 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3
More data for this
Ligand-Target Pair