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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 = 'BDBM50156639'   
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))
BDBM50156639
PNG
((7RS,9aSR)-2-furan-2-yl-N5-(2-pyrimidin-2-yloctahy...)
Show SMILES Cn1nc(c(CN2CCN3C[C@@H](CNc4nc(N)n5nc(nc5n4)-c4ccco4)CC[C@@H]3C2)c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C23H27ClF3N11O/c1-35-18(24)15(17(33-35)23(25,26)27)12-36-6-7-37-10-13(4-5-14(37)11-36)9-29-21-31-20(28)38-22(32-21)30-19(34-38)16-3-2-8-39-16/h2-3,8,13-14H,4-7,9-12H2,1H3,(H3,28,29,30,31,32,34)/t13-,14-/m1/s1
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Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane


J Med Chem 47: 6218-29 (2004)


Article DOI: 10.1021/jm0494321
BindingDB Entry DOI: 10.7270/Q20V8DM9
More data for this
Ligand-Target Pair