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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 = 'BDBM50066218'   
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))		BDBM50066218
PNG
((S)-1-Benzylthiocarbamoyl-pyrrolidine-2-carboxylic...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1
Show InChI InChI=1S/C30H34N4O2S/c1-33(22-25-16-9-4-10-17-25)29(36)26(20-23-12-5-2-6-13-23)32-28(35)27-18-11-19-34(27)30(37)31-21-24-14-7-3-8-15-24/h2-10,12-17,26-27H,11,18-22H2,1H3,(H,31,37)(H,32,35)/t26-,27-/m0/s1
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Similars
Article
PubMed
 1.01E+3n/an/an/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Tachykinin receptor 1 by measuring its ability to displace [3H]SP (0.6 nM) binding to membranes from Cos-7 cells tr...

J Med Chem 41: 3159-73 (1998)


Article DOI: 10.1021/jm970499g
BindingDB Entry DOI: 10.7270/Q2BZ66QJ
More data for this
Ligand-Target Pair