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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50287310'   
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
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50287310
PNG
(CHEMBL4173715)
Show SMILES OC(=O)C[C@]1(CC(F)(F)F)CCc2cc(ccc2C1=O)-c1cnc(NC(=O)Nc2ccc(F)c(F)c2)cn1 |r|
Show InChI InChI=1S/C25H19F5N4O4/c26-17-4-2-15(8-18(17)27)33-23(38)34-20-11-31-19(10-32-20)14-1-3-16-13(7-14)5-6-24(22(16)37,9-21(35)36)12-25(28,29)30/h1-4,7-8,10-11H,5-6,9,12H2,(H,35,36)(H2,32,33,34,38)/t24-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and [3H]-labelled decanoyl-CoA ...


ACS Med Chem Lett 9: 103-108 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00450
BindingDB Entry DOI: 10.7270/Q2V127C9
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50287310
PNG
(CHEMBL4173715)
Show SMILES OC(=O)C[C@]1(CC(F)(F)F)CCc2cc(ccc2C1=O)-c1cnc(NC(=O)Nc2ccc(F)c(F)c2)cn1 |r|
Show InChI InChI=1S/C25H19F5N4O4/c26-17-4-2-15(8-18(17)27)33-23(38)34-20-11-31-19(10-32-20)14-1-3-16-13(7-14)5-6-24(22(16)37,9-21(35)36)12-25(28,29)30/h1-4,7-8,10-11H,5-6,9,12H2,(H,35,36)(H2,32,33,34,38)/t24-/m0/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in mouse C2C12 cells using [14C] oleic acid as substrate measured after 20 mins by phosphorimaging method


ACS Med Chem Lett 9: 103-108 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00450
BindingDB Entry DOI: 10.7270/Q2V127C9
More data for this
Ligand-Target Pair