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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 = 'BDBM50455639'   
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))
BDBM50455639
PNG
(CHEMBL2113513)
Show SMILES CCOCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H23N5O5/c1-2-26-7-5-3-4-6-11-20-15(18)12-16(21-11)22(9-19-12)17-14(25)13(24)10(8-23)27-17/h9-10,13-14,17,23-25H,2-3,5,7-8H2,1H3,(H2,18,20,21)/t10-,13-,14-,17-/m1/s1
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PC sid
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Similars

Article
PubMed
244n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand


J Med Chem 35: 241-52 (1992)


Article DOI: 10.1021/jm00080a007
BindingDB Entry DOI: 10.7270/Q20C4WD2
More data for this
Ligand-Target Pair