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BDBM50380049 CHEMBL2012611

SMILES: OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCCCC2)s1

InChI Key: InChIKey=QPHYYWSRSYALQR-WGSAOQKQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50380049   
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))		BDBM50380049
PNG
(CHEMBL2012611)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCC2CCCCC2)s1 |r,wU:7.10,wD:4.3,(15.04,-25.76,;13.5,-25.78,;12.74,-27.12,;12.71,-24.46,;11.17,-24.48,;10.38,-23.15,;8.84,-23.17,;8.09,-24.52,;8.87,-25.84,;10.41,-25.82,;6.56,-24.54,;5.77,-23.22,;4.24,-23.24,;3.49,-24.57,;4.27,-25.89,;5.81,-25.88,;1.95,-24.59,;1.17,-23.26,;1.19,-25.93,;-.35,-25.95,;-1.27,-24.71,;-2.72,-25.21,;-2.71,-26.75,;-4.05,-27.5,;-5.38,-26.72,;-6.72,-27.47,;-8.04,-26.68,;-9.38,-27.44,;-9.4,-28.98,;-8.06,-29.76,;-6.73,-29,;-1.24,-27.21,)|
Show InChI InChI=1S/C25H33N3O3S/c29-23(30)16-18-6-9-19(10-7-18)20-11-13-21(14-12-20)24(31)26-25-28-27-22(32-25)15-8-17-4-2-1-3-5-17/h11-14,17-19H,1-10,15-16H2,(H,29,30)(H,26,28,31)/t18-,19-
PDB

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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method

Bioorg Med Chem Lett 22: 2497-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ
More data for this
Ligand-Target Pair