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SMILES: Fc1ccccc1CNC(=S)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=JRQRQMINYXEZFS-QHCPKHFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50066219   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))
BDBM50066219
PNG
((S)-1-(2-Fluoro-benzylthiocarbamoyl)-pyrrolidine-2...)
Show SMILES Fc1ccccc1CNC(=S)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26FN3OS/c27-22-15-8-7-14-21(22)18-28-26(32)30-17-9-16-23(30)25(31)29-24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-8,10-15,23-24H,9,16-18H2,(H,28,32)(H,29,31)/t23-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
1.27E+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 to displace [3H][Sar9Met(O2)11]-SP (1 nM) binding to rabbit whole brain membranes


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