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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 = 'BDBM50023402'   
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)
BDBM50023402
PNG
((4-{1-[2-(4-Amino-3-iodo-phenyl)-ethyl]-2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H24IN5O5/c1-2-10-29-22-20(27-21(28-22)15-4-6-16(7-5-15)35-13-19(31)32)23(33)30(24(29)34)11-9-14-3-8-18(26)17(25)12-14/h3-8,12H,2,9-11,13,26H2,1H3,(H,27,28)(H,31,32)
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PC sid
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Similars

Article
PubMed
n/an/an/a 3.10E+3n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes


J Med Chem 31: 745-51 (1988)


Article DOI: 10.1021/jm00399a010
BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair