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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 = 'BDBM50399703'   
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))
BDBM50399703
PNG
(CHEMBL2178388)
Show SMILES Cc1nc(C(F)F)c(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O |r,wU:16.17,wD:19.21,(46.43,-53.65,;45.1,-52.89,;43.77,-53.66,;42.43,-52.89,;41.1,-53.66,;39.76,-52.89,;41.1,-55.2,;42.43,-51.35,;43.76,-50.58,;45.1,-51.35,;46.43,-50.58,;47.76,-51.35,;49.1,-50.58,;49.09,-49.03,;47.76,-48.27,;46.43,-49.04,;50.43,-48.26,;50.42,-46.72,;51.76,-45.95,;53.09,-46.72,;54.43,-45.95,;55.76,-46.72,;57.09,-45.95,;55.76,-48.26,;53.09,-48.26,;51.76,-49.03,;41.1,-50.57,;39.76,-51.34,;41.1,-49.03,)|
Show InChI InChI=1S/C21H23F2N3O3/c1-11-17(26-19(21(24)29)18(25-11)20(22)23)15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-16(27)28/h6-9,12-13,20H,2-5,10H2,1H3,(H2,24,29)(H,27,28)/t12-,13-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/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