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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 = 'BDBM50030590'   
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))
BDBM50030590
PNG
(1-Benzyl-3-[4-(4-fluoro-phenyl)-2-methyl-1-oxo-1,2...)
Show SMILES CN(Cc1ccccc1)C(=O)Nc1c(-c2ccc(F)cc2)c2ccccc2c(=O)n1C
Show InChI InChI=1S/C25H22FN3O2/c1-28(16-17-8-4-3-5-9-17)25(31)27-23-22(18-12-14-19(26)15-13-18)20-10-6-7-11-21(20)24(30)29(23)2/h3-15H,16H2,1-2H3,(H,27,31)
PDB
MMDB

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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells


J Med Chem 38: 3106-20 (1995)


BindingDB Entry DOI: 10.7270/Q2ZS2VJH
More data for this
Ligand-Target Pair