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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 = 'BDBM50399679'   
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))
BDBM50399679
PNG
(CHEMBL2178949)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@@H](CC2)C(O)=O)c1 |r,wD:18.18,21.26,(47.29,-23.74,;48.62,-22.97,;49.97,-23.74,;51.29,-22.97,;52.63,-23.74,;51.29,-21.44,;49.96,-20.66,;48.63,-21.43,;47.29,-20.66,;45.96,-21.43,;47.29,-19.12,;52.62,-20.67,;52.62,-19.12,;53.95,-18.35,;55.29,-19.12,;55.3,-20.66,;56.77,-21.13,;57.67,-19.87,;56.75,-18.63,;55.65,-17.55,;56.05,-16.06,;57.54,-15.65,;58.63,-16.74,;58.23,-18.22,;57.93,-14.17,;59.42,-13.76,;56.84,-13.08,;53.96,-21.44,)|
Show InChI InChI=1S/C22H25N3O3/c1-12-18(25-19(20(23)26)13(2)24-12)16-3-4-17-15(11-16)7-10-22(17)8-5-14(6-9-22)21(27)28/h3-4,11,14H,5-10H2,1-2H3,(H2,23,26)(H,27,28)/t14-,22-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/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