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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 = 'BDBM50049326'   
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))		BDBM50049326
PNG
(CHEMBL164563 | N-{2-[Acetyl-(2-methoxy-benzyl)-ami...)
Show SMILES COc1ccccc1CN(CC(Cc1ccccc1)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O
Show InChI InChI=1S/C31H38N4O3/c1-25(36)35(22-27-13-9-10-16-30(27)38-2)23-28(21-26-11-5-3-6-12-26)32-31(37)24-33-17-19-34(20-18-33)29-14-7-4-8-15-29/h3-16,28H,17-24H2,1-2H3,(H,32,37)
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Article
PubMed
n/an/a 8.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand

J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
More data for this
Ligand-Target Pair