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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 2' and Ligand = 'BDBM50461447'   
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


(Chlorocebus aethiops)
BDBM50461447
PNG
(CHEMBL4228016)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)\C=C\[C@H](C)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H19Cl6NO2/c1-4-11(22)10(7-9(3)14(18,19)20)21-12(23)6-5-8(2)13(15,16)17/h5-6,8-10H,4,7H2,1-3H3,(H,21,23)/b6-5+/t8-,9-,10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs


Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)
BDBM50461447
PNG
(CHEMBL4228016)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)\C=C\[C@H](C)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H19Cl6NO2/c1-4-11(22)10(7-9(3)14(18,19)20)21-12(23)6-5-8(2)13(15,16)17/h5-6,8-10H,4,7H2,1-3H3,(H,21,23)/b6-5+/t8-,9-,10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...


Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair