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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 = 'BDBM50030569'   
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))		BDBM50030569
PNG
(1-(2-Chloro-benzyl)-1-methyl-3-(2,6,7-trimethyl-1-...)
Show SMILES CN(Cc1ccccc1Cl)C(=O)Nc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C
Show InChI InChI=1S/C27H26ClN3O2/c1-17-14-21-22(15-18(17)2)26(32)31(4)25(24(21)19-10-6-5-7-11-19)29-27(33)30(3)16-20-12-8-9-13-23(20)28/h5-15H,16H2,1-4H3,(H,29,33)
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MMDB

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PubMed
n/an/a 4.20n/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