BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neurokinin 1 receptor' and Ligand = 'BDBM50016445'   
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))
BDBM50016445
PNG
(2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-phenyl...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C33H46N6O6S/c1-21(2)17-26(32(44)38-25(30(34)42)15-16-46-4)37-29(41)20-35-31(43)27(18-23-11-7-5-8-12-23)39-33(45)28(36-22(3)40)19-24-13-9-6-10-14-24/h5-14,21,25-28H,15-20H2,1-4H3,(H2,34,42)(H,35,43)(H,36,40)(H,37,41)(H,38,44)(H,39,45)/t25-,26+,27+,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair