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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 = 'BDBM50358335'   
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))
BDBM50358335
PNG
(CHEMBL1922684)
Show SMILES Cc1nc(oc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C20H20N4O3/c1-14-18(27-20(22-14)15-5-3-2-4-6-15)19(25)23-16-7-8-17(21-13-16)24-9-11-26-12-10-24/h2-8,13H,9-12H2,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50358335
PNG
(CHEMBL1922684)
Show SMILES Cc1nc(oc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C20H20N4O3/c1-14-18(27-20(22-14)15-5-3-2-4-6-15)19(25)23-16-7-8-17(21-13-16)24-9-11-26-12-10-24/h2-8,13H,9-12H2,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 7.46E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair