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BDBM50422067 CHEMBL134737

SMILES: C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1Cl)c1ccccc1

InChI Key: InChIKey=ABUAYXONELMOKH-HMILPKGGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50422067   
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))
BDBM50422067
PNG
(CHEMBL134737)
Show SMILES C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C28H28ClN3O3/c1-19(20-10-4-3-5-11-20)31-26(33)28(2,16-22-17-30-25-15-9-7-13-23(22)25)32-27(34)35-18-21-12-6-8-14-24(21)29/h3-15,17,19,30H,16,18H2,1-2H3,(H,31,33)(H,32,34)/t19-,28+/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Binding affinity towards tachykinin receptor 1 in human IM9 cells.


J Med Chem 38: 4454-62 (1995)


Article DOI: 10.1021/jm00022a010
BindingDB Entry DOI: 10.7270/Q2FX7BQ5
More data for this
Ligand-Target Pair