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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50316851'   
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
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50316851
PNG
(2-Phenyl-3-prop-2-yn-1-yl-3,5,6,7-tetrahydro-4H-cy...)
Show SMILES O=c1n(CC#C)c(nc2sc3CCCc3c12)-c1ccccc1
Show InChI InChI=1S/C18H14N2OS/c1-2-11-20-16(12-7-4-3-5-8-12)19-17-15(18(20)21)13-9-6-10-14(13)22-17/h1,3-5,7-8H,6,9-11H2
PDB

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PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting


Eur J Med Chem 45: 1739-45 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.075
BindingDB Entry DOI: 10.7270/Q2N016NW
More data for this
Ligand-Target Pair