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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 1' and Ligand = 'BDBM50461446'   
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


(Chlorocebus aethiops)
BDBM50461446
PNG
(CHEMBL4227742)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r|
Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 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
Sterol O-acyltransferase 1


(Chlorocebus aethiops)
BDBM50461446
PNG
(CHEMBL4227742)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r|
Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 780n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 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