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SMILES: CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccncc1-c1ccccc1C

InChI Key: InChIKey=SCPYZUAEPUWQKQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178585   
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
Substance-P receptor


(Homo sapiens (Human))		BDBM50178585
PNG
(CHEMBL206294 | N-(3,5-bis(trifluoromethyl)benzyl)-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccncc1-c1ccccc1C
Show InChI InChI=1S/C23H18F6N2O/c1-14-5-3-4-6-18(14)20-12-30-8-7-19(20)21(32)31(2)13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h3-12H,13H2,1-2H3
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MMDB

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 4.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1362-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.047
BindingDB Entry DOI: 10.7270/Q2D50MJP
More data for this
Ligand-Target Pair