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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 380.3
BDBM50272119

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM50272119
PNG
(CHEMBL4130328)
Show SMILES CC(C)(CC(O)=O)C#Cc1ccc(cc1)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C20H20N4O4/c1-20(2,11-15(25)26)8-7-13-3-5-14(6-4-13)24-9-10-28-18-16(19(24)27)17(21)22-12-23-18/h3-6,12H,9-11H2,1-2H3,(H,25,26)(H2,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 281n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...


Bioorg Med Chem Lett 28: 1686-1692 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.051
BindingDB Entry DOI: 10.7270/Q2K64MKJ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50272119
PNG
(CHEMBL4130328)
Show SMILES CC(C)(CC(O)=O)C#Cc1ccc(cc1)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C20H20N4O4/c1-20(2,11-15(25)26)8-7-13-3-5-14(6-4-13)24-9-10-28-18-16(19(24)27)17(21)22-12-23-18/h3-6,12H,9-11H2,1-2H3,(H,25,26)(H2,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 282n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...


Bioorg Med Chem Lett 28: 1686-1692 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.051
BindingDB Entry DOI: 10.7270/Q2K64MKJ
More data for this
Ligand-Target Pair