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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 = 'BDBM50041559'   
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))
BDBM50041559
PNG
(CHEMBL3358420)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NC#N)OCc1ccccc1 |r|
Show InChI InChI=1S/C18H17N3O3/c19-13-20-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-12-15-9-5-2-6-10-15/h1-10,16H,11-12H2,(H,20,22)(H,21,23)/t16-/m0/s1
PDB
MMDB

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PC cid
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Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis


ACS Med Chem Lett 5: 1272-7 (2014)


Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V
More data for this
Ligand-Target Pair