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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50287313'   
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))
BDBM50287313
PNG
(CHEMBL4168991)
Show SMILES CCC1(CC(O)=O)CCc2cc(ccc2C1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H25F3N2O4/c1-2-27(16-24(34)35)13-12-19-14-18(8-11-23(19)25(27)36)17-6-9-21(10-7-17)32-26(37)33-22-5-3-4-20(15-22)28(29,30)31/h3-11,14-15H,2,12-13,16H2,1H3,(H,34,35)(H2,32,33,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 C10-CoA as substrate pretre...


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


(Homo sapiens (Human))
BDBM50287313
PNG
(CHEMBL4168991)
Show SMILES CCC1(CC(O)=O)CCc2cc(ccc2C1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H25F3N2O4/c1-2-27(16-24(34)35)13-12-19-14-18(8-11-23(19)25(27)36)17-6-9-21(10-7-17)32-26(37)33-22-5-3-4-20(15-22)28(29,30)31/h3-11,14-15H,2,12-13,16H2,1H3,(H,34,35)(H2,32,33,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/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


(Rattus norvegicus (rat))
BDBM50287313
PNG
(CHEMBL4168991)
Show SMILES CCC1(CC(O)=O)CCc2cc(ccc2C1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H25F3N2O4/c1-2-27(16-24(34)35)13-12-19-14-18(8-11-23(19)25(27)36)17-6-9-21(10-7-17)32-26(37)33-22-5-3-4-20(15-22)28(29,30)31/h3-11,14-15H,2,12-13,16H2,1H3,(H,34,35)(H2,32,33,37)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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