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BDBM50399701 CHEMBL2178390

SMILES: CC(C)c1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1

InChI Key: InChIKey=RQELPNONOIGRBZ-WKILWMFISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399701   
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))		BDBM50399701
PNG
(CHEMBL2178390)
Show SMILES CC(C)c1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.20,wD:22.24,(2.81,-9.81,;4.14,-10.58,;4.14,-12.12,;5.48,-9.81,;6.82,-10.58,;8.15,-9.81,;9.48,-10.57,;8.15,-8.27,;6.81,-7.5,;5.48,-8.26,;4.15,-7.49,;2.81,-8.26,;4.15,-5.95,;9.48,-7.5,;10.81,-8.27,;12.15,-7.5,;12.14,-5.95,;10.81,-5.19,;9.48,-5.96,;13.48,-5.18,;13.47,-3.64,;14.8,-2.87,;16.14,-3.64,;17.47,-2.87,;18.81,-3.64,;20.14,-2.87,;18.81,-5.18,;16.14,-5.18,;14.81,-5.95,)|
Show InChI InChI=1S/C23H29N3O3/c1-13(2)20-22(23(24)29)26-21(14(3)25-20)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-19(27)28/h8-11,13,15-16H,4-7,12H2,1-3H3,(H2,24,29)(H,27,28)/t15-,16-
PDB

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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