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BDBM50399699 CHEMBL2178392

SMILES: NC(=O)c1nc(cnc1N)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1

InChI Key: InChIKey=YJXPILYYRNJCFH-HAQNSBGRSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399699   
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))
BDBM50399699
PNG
(CHEMBL2178392)
Show SMILES NC(=O)c1nc(cnc1N)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:16.17,wD:19.21,(40.87,-7.5,;42.21,-6.73,;42.21,-5.19,;43.54,-7.5,;44.88,-6.73,;46.21,-7.51,;46.21,-9.04,;44.88,-9.81,;43.54,-9.04,;42.21,-9.81,;47.54,-6.74,;48.87,-7.51,;50.21,-6.74,;50.21,-5.19,;48.87,-4.42,;47.54,-5.2,;51.54,-4.42,;51.53,-2.88,;52.87,-2.11,;54.2,-2.88,;55.54,-2.11,;56.87,-2.88,;58.21,-2.11,;56.87,-4.42,;54.2,-4.42,;52.88,-5.19,)|
Show InChI InChI=1S/C19H22N4O3/c20-18-17(19(21)26)23-15(10-22-18)14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-16(24)25/h5-8,10-12H,1-4,9H2,(H2,20,22)(H2,21,26)(H,24,25)/t11-,12-
UniProtKB/SwissProt

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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