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BDBM50399702 CHEMBL2178389

SMILES: CCc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1

InChI Key: InChIKey=AQOIGZWADDGQMU-SHTZXODSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399702   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50399702
PNG
(CHEMBL2178389)
Show SMILES CCc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:18.19,wD:21.23,(61.37,-52.27,;62.71,-53.04,;64.04,-52.27,;65.38,-53.04,;66.71,-52.27,;68.05,-53.04,;66.71,-50.74,;65.38,-49.96,;64.04,-50.73,;62.71,-49.96,;61.38,-50.73,;62.71,-48.42,;68.04,-49.97,;69.38,-50.74,;70.71,-49.97,;70.71,-48.42,;69.37,-47.65,;68.04,-48.42,;72.04,-47.65,;72.03,-46.11,;73.37,-45.34,;74.71,-46.11,;76.04,-45.34,;77.37,-46.11,;78.71,-45.34,;77.37,-47.65,;74.7,-47.65,;73.38,-48.42,)|
Show InChI InChI=1S/C22H27N3O3/c1-3-18-21(22(23)28)25-20(13(2)24-18)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-19(26)27/h8-11,14-15H,3-7,12H2,1-2H3,(H2,23,28)(H,26,27)/t14-,15-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/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