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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 = 'BDBM50066210'   
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))
BDBM50066210
PNG
((S)-Pyrrolidine-1,2-dicarboxylic acid 2-{[(S)-1-(b...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C34H33N5O3/c1-38(23-24-9-3-2-4-10-24)33(41)30(21-25-16-17-27-12-5-6-13-28(27)19-25)37-32(40)31-15-8-18-39(31)34(42)36-29-14-7-11-26(20-29)22-35/h2-7,9-14,16-17,19-20,30-31H,8,15,18,21,23H2,1H3,(H,36,42)(H,37,40)/t30-,31-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
4.20n/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