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1 similar compounds to monomer 50117102

Compile data set for download or QSAR
Wt: 490.9
BDBM50117101

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117101   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117101
PNG
(CHEMBL3613136)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Cl)cn2)c1C#N
Show InChI InChI=1S/C23H15ClN6OS2/c1-31-16-5-2-13(3-6-16)20-17(8-25)21(27)30-22(18(20)9-26)32-11-15-12-33-23(29-15)19-7-4-14(24)10-28-19/h2-7,10,12H,11H2,1H3,(H2,27,30)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair