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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 = 'BDBM50030593'   
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))		BDBM50030593
PNG
(CHEMBL106326 | N-Methyl-N-(2-methyl-1-oxo-4-phenyl...)
Show SMILES CN(Cc1c(-c2ccccc2)c2ccccc2c(=O)n1C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H20F6N2O2/c1-34(24(36)17-12-18(26(28,29)30)14-19(13-17)27(31,32)33)15-22-23(16-8-4-3-5-9-16)20-10-6-7-11-21(20)25(37)35(22)2/h3-14H,15H2,1-2H3
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n/an/a 19n/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