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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 = 'BDBM50455769'   
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))
BDBM50455769
PNG
(CHEMBL2113577)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCS([O-])(=O)=O)ncnc12
Show InChI InChI=1S/C20H33N5O7S.Na/c26-11-14-16(27)17(28)20(32-14)25-13-24-15-18(22-12-23-19(15)25)21-9-7-5-3-1-2-4-6-8-10-33(29,30)31;/h12-14,16-17,20,26-28H,1-11H2,(H,21,22,23)(H,29,30,31);/q;+1/p-1/t14-,16-,17-,20-;/m1./s1
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PC sid
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Similars

Article
PubMed
712n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor at rat cortical receptors using 1 nM [3H]PIA


J Med Chem 35: 4143-9 (1992)


Article DOI: 10.1021/jm00100a020
BindingDB Entry DOI: 10.7270/Q2XG9RSN
More data for this
Ligand-Target Pair