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BDBM50438745 CHEMBL2414699

SMILES: COC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O

InChI Key: InChIKey=VREDYRHKGZWDKN-SHTZXODSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50438745   
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))		BDBM50438745
PNG
(CHEMBL2414699)
Show SMILES COC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:8.11,wD:5.4,(26.42,-40.68,;24.89,-40.46,;24.32,-39.03,;25.27,-37.83,;22.8,-38.81,;21.82,-40.05,;20.3,-39.83,;19.34,-41.03,;19.93,-42.49,;21.42,-42.68,;22.38,-41.48,;18.94,-43.73,;17.42,-43.5,;16.46,-44.71,;17.03,-46.16,;18.55,-46.36,;19.51,-45.16,;16.07,-47.38,;16.77,-48.78,;16.1,-50.19,;14.59,-50.56,;13.37,-49.59,;12.03,-50.39,;10.67,-49.62,;10.65,-48.07,;11.99,-47.27,;11.98,-45.72,;13.35,-48.04,;14.55,-47.05,;14.19,-45.54,)|
Show InChI InChI=1S/C22H26N4O4/c1-29-18(27)12-14-2-4-15(5-3-14)16-6-8-17(9-7-16)26-10-11-30-21-19(22(26)28)20(23)24-13-25-21/h6-9,13-15H,2-5,10-12H2,1H3,(H2,23,24,25)/t14-,15-
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry

Bioorg Med Chem 21: 5081-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG
More data for this
Ligand-Target Pair