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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 = 'BDBM50178638'   
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


(BOVINE)
BDBM50178638
PNG
(8-chloro-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin...)
Show SMILES Nc1nc2ccc(Cl)cc2n2nc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-15(13(17)18-11)19-14(20-21)9-4-2-1-3-5-9/h1-8H,(H2,17,18)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7932-45 (2005)


Article DOI: 10.1021/jm0504149
BindingDB Entry DOI: 10.7270/Q20V8CCR
More data for this
Ligand-Target Pair