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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 = 'BDBM50280983'   
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))
BDBM50280983
PNG
((2-Methoxy-benzyl)-((2R,3R)-2-phenyl-piperidin-3-y...)
Show SMILES COc1ccccc1CN[C@@H]1CCCN[C@@H]1c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m1/s1
PDB
MMDB

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Article
n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against substance P receptor.


Bioorg Med Chem Lett 3: 2083-2086 (1993)


Article DOI: 10.1016/S0960-894X(01)81021-0
BindingDB Entry DOI: 10.7270/Q2JM29JF
More data for this
Ligand-Target Pair