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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 = 'BDBM50453501'   
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))
BDBM50453501
PNG
(CHEMBL2113597)
Show SMILES CC(C)n1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12
Show InChI InChI=1S/C26H31N7O4/c1-14(2)32-11-15(17-5-3-4-6-18(17)32)9-10-27-23-19-24(29-12-28-23)33(13-30-19)26-21(35)20(34)22(37-26)25(36)31-16-7-8-16/h3-6,11-14,16,20-22,26,34-35H,7-10H2,1-2H3,(H,31,36)(H,27,28,29)/t20-,21+,22-,26+/m0/s1
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PC sid
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Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair