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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 = 'BDBM50030592'   
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))		BDBM50030592
PNG
(1-Benzyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dih...)
Show SMILES Cc1cc2c(-c3ccccc3)c(NC(=O)NCc3ccccc3)n(C)c(=O)c2cc1C
Show InChI InChI=1S/C26H25N3O2/c1-17-14-21-22(15-18(17)2)25(30)29(3)24(23(21)20-12-8-5-9-13-20)28-26(31)27-16-19-10-6-4-7-11-19/h4-15H,16H2,1-3H3,(H2,27,28,31)
PDB
MMDB

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PubMed
n/an/a 140n/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