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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 = 'BDBM50173181'   
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))
BDBM50173181
PNG
(3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...)
Show SMILES CC(C)NC(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
Show InChI InChI=1S/C19H18N6O2/c1-11(2)21-19(26)13-6-3-5-12(9-13)14-10-25-18(16(20)22-14)23-17(24-25)15-7-4-8-27-15/h3-11H,1-2H3,(H2,20,22)(H,21,26)
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PC cid
PC sid
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Similars

Article
PubMed
290n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)


Bioorg Med Chem Lett 15: 4809-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.052
BindingDB Entry DOI: 10.7270/Q24Q7TJV
More data for this
Ligand-Target Pair