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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 = 'BDBM50049352'   
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))		BDBM50049352
PNG
(CHEMBL165007 | N-(1-{[Acetyl-(2-methoxy-benzyl)-am...)
Show SMILES COc1ccccc1CN(CC(Cc1csc2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O
Show InChI InChI=1S/C33H38N4O3S/c1-25(38)37(21-26-10-6-8-14-31(26)40-2)22-28(20-27-24-41-32-15-9-7-13-30(27)32)34-33(39)23-35-16-18-36(19-17-35)29-11-4-3-5-12-29/h3-15,24,28H,16-23H2,1-2H3,(H,34,39)
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n/an/a 1.18n/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