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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine A1 receptor' and Ligand = 'BDBM50120449'   
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 A1 receptor


(BOVINE)
BDBM50120449
PNG
(2-(9-Phenyl-6-propylsulfanyl-9H-purin-2-ylsulfanyl...)
Show SMILES CCCSc1nc(SC(CC)C(N)=O)nc2n(cnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5OS2/c1-3-10-25-17-14-16(21-18(22-17)26-13(4-2)15(19)24)23(11-20-14)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3,(H2,19,24)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
29.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair