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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 = 'BDBM50316870'   
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))
BDBM50316870
PNG
(2-amino-N-(2-(diethylamino)ethyl)-N-methyl-5-oxo-4...)
Show SMILES CCN(CC)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C25H27N5O2/c1-4-30(5-2)14-13-29(3)24(32)17-11-12-18-19(15-17)22-20(23(18)31)21(27-25(26)28-22)16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H2,26,27,28)
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PC cid
PC sid
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Similars

Article
PubMed
94.7n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair