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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 = 'BDBM50066167'   
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))
BDBM50066167
PNG
((S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2...)
Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl
Show InChI InChI=1S/C33H36ClN5O2S/c1-38(19-17-24-21-35-28-15-8-6-13-26(24)28)32(41)29(20-23-10-3-2-4-11-23)37-31(40)30-16-9-18-39(30)33(42)36-22-25-12-5-7-14-27(25)34/h2-8,10-15,21,29-30,35H,9,16-20,22H2,1H3,(H,36,42)(H,37,40)/t29-,30-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
48n/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