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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 = 'BDBM50117106'   
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))
BDBM50117106
PNG
(CHEMBL3613131)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccc2Cl)c1C#N
Show InChI InChI=1S/C24H16ClN5OS2/c1-31-16-8-6-14(7-9-16)21-18(10-26)22(28)30-24(19(21)11-27)33-13-15-12-32-23(29-15)17-4-2-3-5-20(17)25/h2-9,12H,13H2,1H3,(H2,28,30)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
11n/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