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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neurokinin 1 receptor' and Ligand = 'BDBM50436548'   
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
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50436548
PNG
(CHEMBL2397493)
Show SMILES Cc1ccccc1C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C19H23N3O2/c1-13-7-5-6-10-15(13)12-17(18(21)23)22-19(24)16(20)11-14-8-3-2-4-9-14/h2-10,16-17H,11-12,20H2,1H3,(H2,21,23)(H,22,24)/t16-,17-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair