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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 = 'BDBM50342511'   
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


(Homo sapiens (Human))
BDBM50342511
PNG
(2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e]...)
Show SMILES Nc1nc2n(CCCc3ccc(OCC(O)=O)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H19N7O4/c22-21-25-19-15(20-24-18(26-28(20)21)16-4-2-10-31-16)11-23-27(19)9-1-3-13-5-7-14(8-6-13)32-12-17(29)30/h2,4-8,10-11H,1,3,9,12H2,(H2,22,25)(H,29,30)
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Similars

Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 2740-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.082
BindingDB Entry DOI: 10.7270/Q2RV0P0B
More data for this
Ligand-Target Pair