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BDBM50391030 CHEMBL2088392

SMILES: OCc1nc2cc(NC(=O)C3CCC(CC3)C(F)(F)F)ccc2s1

InChI Key: InChIKey=MUMPITGGJGVJOT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50391030   
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391030
PNG
(CHEMBL2088392)
Show SMILES OCc1nc2cc(NC(=O)C3CCC(CC3)C(F)(F)F)ccc2s1 |(8.88,-26.24,;9.64,-27.58,;11.18,-27.58,;12.09,-26.34,;13.55,-26.82,;14.88,-26.04,;16.22,-26.8,;17.55,-26.03,;18.89,-26.79,;18.89,-28.33,;20.22,-26.02,;21.55,-26.79,;22.88,-26.02,;22.87,-24.47,;21.53,-23.71,;20.2,-24.49,;24.2,-23.7,;25.54,-24.46,;24.2,-22.16,;25.53,-22.91,;16.22,-28.35,;14.89,-29.13,;13.55,-28.35,;12.09,-28.83,)|
Show InChI InChI=1S/C16H17F3N2O2S/c17-16(18,19)10-3-1-9(2-4-10)15(23)20-11-5-6-13-12(7-11)21-14(8-22)24-13/h5-7,9-10,22H,1-4,8H2,(H,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair