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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 = 'BDBM50341186'   
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))
BDBM50341186
PNG
(CHEMBL1760892 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)C(=O)c3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H27F3N4O4S/c1-4-33(15(2)34)19-8-9-20(37-3)21-22(19)38-25(30-21)31-23(35)16-10-12-32(13-11-16)24(36)17-6-5-7-18(14-17)26(27,28)29/h5-9,14,16H,4,10-13H2,1-3H3,(H,30,31,35)
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PC cid
PC sid
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Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor after 1 hr


Bioorg Med Chem Lett 21: 1933-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.053
BindingDB Entry DOI: 10.7270/Q2959HWD
More data for this
Ligand-Target Pair