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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 = 'BDBM50315546'   
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))
BDBM50315546
PNG
(8-(2-Thioxo-7(3-o-iodophenyl)-2-(2-furyl)thiazolo[...)
Show SMILES Ic1ccccc1-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Show InChI InChI=1S/C16H8IN5OS2/c17-9-4-1-2-5-10(9)22-14-12(25-16(22)24)15-19-13(11-6-3-7-23-11)20-21(15)8-18-14/h1-8H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay


Bioorg Med Chem 18: 2491-500 (2010)


Article DOI: 10.1016/j.bmc.2010.02.048
BindingDB Entry DOI: 10.7270/Q27W6D57
More data for this
Ligand-Target Pair