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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 = 'BDBM50470683'   
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))
BDBM50470683
PNG
(CHEMBL356786)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccoc1
Show InChI InChI=1S/C23H26N2O2/c1-26-22-10-9-18(19-11-13-27-16-19)14-20(22)15-25-21-8-5-12-24-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,16,21,23-25H,5,8,12,15H2,1H3/t21-,23-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
0.0631n/an/an/an/an/an/an/an/a



GSK UK

Curated by ChEMBL


Assay Description
Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells


J Med Chem 38: 4985-92 (1995)


Article DOI: 10.1021/jm00026a005
BindingDB Entry DOI: 10.7270/Q2S46VQ5
More data for this
Ligand-Target Pair