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BDBM50438728 CHEMBL2414701

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

InChI Key: InChIKey=GHUQKVSFWUZIJR-WKILWMFISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50438728   
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))		BDBM50438728
PNG
(CHEMBL2414701)
Show SMILES CCNC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:9.12,wD:6.5,(39.91,-37.08,;38.91,-38.29,;37.4,-38.03,;36.41,-39.22,;36.95,-40.66,;34.89,-38.97,;33.9,-40.16,;32.4,-39.94,;31.43,-41.11,;31.96,-42.54,;33.46,-42.8,;34.44,-41.62,;30.96,-43.75,;31.5,-45.22,;30.53,-46.39,;29.03,-46.14,;28.5,-44.71,;29.47,-43.53,;28.03,-47.34,;28.71,-48.76,;28.02,-50.15,;26.5,-50.48,;25.31,-49.49,;23.96,-50.25,;22.63,-49.47,;22.65,-47.92,;23.99,-47.16,;24.01,-45.62,;25.32,-47.95,;26.54,-47,;26.22,-45.49,)|
Show InChI InChI=1S/C23H29N5O3/c1-2-25-19(29)13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)28-11-12-31-22-20(23(28)30)21(24)26-14-27-22/h7-10,14-16H,2-6,11-13H2,1H3,(H,25,29)(H2,24,26,27)/t15-,16-
PDB

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PC cid
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Similars
Article
PubMed
n/an/a 94n/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