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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 = 'BDBM50041563'   
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))
BDBM50041563
PNG
(CHEMBL3358424)
Show SMILES O=C(N[C@@H](Cc1ccccc1)c1nnc(o1)-c1ccccc1)OCc1ccccc1 |r|
Show InChI InChI=1S/C24H21N3O3/c28-24(29-17-19-12-6-2-7-13-19)25-21(16-18-10-4-1-5-11-18)23-27-26-22(30-23)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,25,28)/t21-/m0/s1
PDB
MMDB

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PC cid
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Similars

Article
PubMed
n/an/a 9n/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