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BDBM50399678 CHEMBL2178369

SMILES: Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@H](Cc3nnn[nH]3)CC2)c1

InChI Key: InChIKey=RYUVHHFBAIAIHW-CWSKOGRWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399678   
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))		BDBM50399678
PNG
(CHEMBL2178369)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@H](Cc3nnn[nH]3)CC2)c1 |r,wD:18.18,21.23,(61.99,-24.12,;63.32,-23.35,;64.66,-24.12,;65.99,-23.35,;67.32,-24.11,;65.99,-21.81,;64.65,-21.04,;63.32,-21.81,;61.99,-21.03,;60.65,-21.8,;61.99,-19.49,;67.32,-21.04,;67.32,-19.5,;68.65,-18.73,;69.98,-19.49,;69.99,-21.03,;71.46,-21.5,;72.36,-20.25,;71.45,-19,;70.35,-17.92,;70.75,-16.43,;72.23,-16.03,;72.63,-14.54,;74.11,-14.14,;74.67,-12.69,;76.2,-12.77,;76.61,-14.26,;75.32,-15.1,;73.32,-17.12,;72.93,-18.6,;68.65,-21.81,)|
Show InChI InChI=1S/C23H27N7O/c1-13-20(26-21(22(24)31)14(2)25-13)17-3-4-18-16(12-17)7-10-23(18)8-5-15(6-9-23)11-19-27-29-30-28-19/h3-4,12,15H,5-11H2,1-2H3,(H2,24,31)(H,27,28,29,30)/t15-,23-
PDB

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Article
PubMed
n/an/a 30n/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