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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 = 'BDBM50367366'   
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))
BDBM50367366
PNG
(CHEMBL606288)
Show SMILES CN(C)c1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C12H15N5O5/c1-16(2)9-5-10(14-3-13-9)17(4-15-5)11-7(19)6(18)8(22-11)12(20)21/h3-4,6-8,11,18-19H,1-2H3,(H,20,21)/t6-,7+,8-,11?/m0/s1
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PC cid
PC sid
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Similars

PubMed
n/an/a 9.60E+3n/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