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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mas-related G-protein coupled receptor member X1' and Ligand = 'BDBM50497465'   
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
Mas-related G-protein coupled receptor member X1


(Homo sapiens (Human))
BDBM50497465
PNG
(CHEMBL3343995)
Show SMILES COc1ccccc1C(=O)\C=C1/C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |(10.52,-16.71,;11.85,-17.48,;13.18,-16.72,;14.51,-17.49,;15.85,-16.72,;15.85,-15.17,;14.52,-14.41,;13.19,-15.18,;11.86,-14.41,;10.52,-15.17,;11.86,-12.87,;10.53,-12.09,;9.2,-12.86,;7.87,-12.09,;7.87,-10.55,;9.2,-9.78,;9.96,-11.11,;8.42,-11.1,;10.53,-10.55,;11.87,-9.79,;11.87,-8.25,;13.21,-7.49,;13.21,-5.95,;11.88,-5.17,;10.54,-5.95,;10.54,-7.48,;13.2,-10.56,;13.19,-12.1,;14.52,-12.88,;15.86,-12.11,;15.86,-10.56,;14.53,-9.8,)|
Show InChI InChI=1S/C29H29NO2/c1-32-27-15-9-8-14-24(27)26(31)20-25-21-16-18-30(19-17-21)29(25)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,20-21,28-29H,16-19H2,1H3/b25-20+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Antagonist activity at human MrgX1 transfected in HEK293 cells by FLIPR assay


Bioorg Med Chem 22: 5831-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.025
BindingDB Entry DOI: 10.7270/Q27P92CV
More data for this
Ligand-Target Pair