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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50451987   
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


(GUINEA PIG)
BDBM50451987
PNG
(CHEMBL607733)
Show SMILES O[C@@H]1[C@@H](CSc2nc3ccccc3s2)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
Show InChI InChI=1S/C22H24N6O3S2/c29-17-14(9-32-22-27-13-7-3-4-8-15(13)33-22)31-21(18(17)30)28-11-25-16-19(23-10-24-20(16)28)26-12-5-1-2-6-12/h3-4,7-8,10-12,14,17-18,21,29-30H,1-2,5-6,9H2,(H,23,24,26)/t14-,17-,18-,21?/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.77E+3n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1773+/-209


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair