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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 = 'BDBM50004724'   
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))
BDBM50004724
PNG
(5-Methyl-1-phenyl-6-propoxy-1,5-dihydro-pyrazolo[3...)
Show SMILES CCCOc1nc2n(ncc2c(=O)n1C)-c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-3-9-21-15-17-13-12(14(20)18(15)2)10-16-19(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 35: 3263-9 (1992)


Article DOI: 10.1021/jm00095a024
BindingDB Entry DOI: 10.7270/Q2QF8RTH
More data for this
Ligand-Target Pair