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BDBM50399696 CHEMBL2178932

SMILES: Cc1nc(-c2ccccc2)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1

InChI Key: InChIKey=UVHSIRWCEMWELE-IYARVYRRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399696   
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))		BDBM50399696
PNG
(CHEMBL2178932)
Show SMILES Cc1nc(-c2ccccc2)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:22.24,wD:25.28,(19.12,-23.51,;20.45,-22.74,;21.79,-23.51,;23.12,-22.74,;24.45,-23.5,;24.45,-25.05,;25.78,-25.81,;27.12,-25.04,;27.11,-23.49,;25.78,-22.73,;23.12,-21.21,;21.78,-20.43,;20.45,-21.2,;19.12,-20.43,;17.78,-21.2,;19.12,-18.89,;24.45,-20.44,;25.78,-21.21,;27.12,-20.44,;27.11,-18.88,;25.78,-18.12,;24.45,-18.89,;28.45,-18.11,;28.44,-16.58,;29.78,-15.81,;31.11,-16.57,;32.45,-15.8,;33.78,-16.57,;35.11,-15.8,;33.78,-18.11,;31.11,-18.12,;29.78,-18.88,)|
Show InChI InChI=1S/C26H27N3O3/c1-16-23(26(27)32)29-25(24(28-16)20-5-3-2-4-6-20)21-13-11-19(12-14-21)18-9-7-17(8-10-18)15-22(30)31/h2-6,11-14,17-18H,7-10,15H2,1H3,(H2,27,32)(H,30,31)/t17-,18-
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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