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SMILES: CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1nc(ccc1-c1ccccc1C)N1CCN(C)CC1

InChI Key: InChIKey=ANPYOUVKUYVENR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178582   
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))		BDBM50178582
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1nc(ccc1-c1ccccc1C)N1CCN(C)CC1
Show InChI InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-10-11-25(40-14-12-38(4)13-15-40)37-26(24)39(5)27(41)28(2,3)20-16-21(29(31,32)33)18-22(17-20)30(34,35)36/h6-11,16-18H,12-15H2,1-5H3
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MMDB

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Article
PubMed
 2n/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