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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 = 'BDBM50367377'   
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))
BDBM50367377
PNG
(CHEMBL606289)
Show SMILES CNc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C11H13N5O5/c1-12-8-4-9(14-2-13-8)16(3-15-4)10-6(18)5(17)7(21-10)11(19)20/h2-3,5-7,10,17-18H,1H3,(H,19,20)(H,12,13,14)/t5-,6+,7-,10?/m0/s1
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PC cid
PC sid
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Similars

PubMed
n/an/a 68n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)


BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair