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SMILES: CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1cnc(nc1-c1ccccc1C)N1CCN(C)CC1

InChI Key: InChIKey=SONFWIYUKIBJQD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178557   
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))		BDBM50178557
PNG
(CHEMBL205829 | N-(3,5-bis(trifluoromethyl)benzyl)-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1cnc(nc1-c1ccccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C27H27F6N5O/c1-17-6-4-5-7-21(17)23-22(15-34-25(35-23)38-10-8-36(2)9-11-38)24(39)37(3)16-18-12-19(26(28,29)30)14-20(13-18)27(31,32)33/h4-7,12-15H,8-11,16H2,1-3H3
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 1.70n/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