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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1 (DGAT1)' and Ligand = 'BDBM50399697'   
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 (DGAT1)


(Homo sapiens (Human))
BDBM50399697
PNG
(CHEMBL2178931)
Show SMILES CC(C)c1nc(C)c(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O |r,wU:16.17,wD:19.21,(9.46,-23.48,;9.46,-21.94,;10.79,-21.16,;8.12,-21.17,;6.8,-21.94,;5.45,-21.17,;4.12,-21.94,;5.46,-19.63,;6.79,-18.86,;8.12,-19.63,;9.45,-18.87,;10.79,-19.64,;12.12,-18.86,;12.12,-17.31,;10.78,-16.55,;9.46,-17.32,;13.45,-16.54,;13.44,-15.01,;14.78,-14.23,;16.12,-15,;17.45,-14.23,;18.79,-15,;20.12,-14.23,;18.79,-16.54,;16.12,-16.54,;14.79,-17.31,;4.12,-18.86,;2.79,-19.62,;4.12,-17.32,)|
Show InChI InChI=1S/C23H29N3O3/c1-13(2)20-22(26-21(23(24)29)14(3)25-20)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-19(27)28/h8-11,13,15-16H,4-7,12H2,1-3H3,(H2,24,29)(H,27,28)/t15-,16-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair