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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 = 'BDBM50273838'   
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))
BDBM50273838
PNG
(5-hydroxy-6-phenyl-1,3-dipropyl-1H-pyrrolo[3,2-d]p...)
Show SMILES CCCn1c2cc(-c3ccccc3)n(O)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C18H21N3O3/c1-3-10-19-15-12-14(13-8-6-5-7-9-13)21(24)16(15)17(22)20(11-4-2)18(19)23/h5-9,12,24H,3-4,10-11H2,1-2H3
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PC cid
PC sid
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Article
PubMed
25n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 9780-9 (2008)


Article DOI: 10.1016/j.bmc.2008.09.067
BindingDB Entry DOI: 10.7270/Q21Z448B
More data for this
Ligand-Target Pair