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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 = 'BDBM50018403'   
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))
BDBM50018403
PNG
(8-Furan-2-yl-1,3-dipropyl-2-thioxo-1,2,3,7-tetrahy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccco1
Show InChI InChI=1S/C15H18N4O2S/c1-3-7-18-13-11(14(20)19(8-4-2)15(18)22)16-12(17-13)10-6-5-9-21-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
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PC cid
PC sid
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Similars

PubMed
32n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes


J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair