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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50097647'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))
BDBM50097647
PNG
((3,5-Bis-trifluoromethyl-benzyl)-[1-(methylamino-p...)
Show SMILES CNC(c1ccccc1)C1(CC1)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20F6N2/c1-27-17(14-5-3-2-4-6-14)18(7-8-18)28-12-13-9-15(19(21,22)23)11-16(10-13)20(24,25)26/h2-6,9-11,17,27-28H,7-8,12H2,1H3
PDB
MMDB

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620n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Thérapeutique associé au CNRS et à l'Université René Descartes (UMR 8638)

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 expressed in CHO cells using [3H]-[Pro9]-SP as radioligand


Bioorg Med Chem Lett 11: 659-61 (2001)


BindingDB Entry DOI: 10.7270/Q2CJ8CR0
More data for this
Ligand-Target Pair