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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50207817'   
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))
BDBM50207817
PNG
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)
Show SMILES Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H
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PC cid
PC sid
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Similars

Article
PubMed
7.37E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50207817
PNG
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)
Show SMILES Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.37E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by PDSP Ki Database




Bioorg Med Chem 15: 3235-40 (2007)


Article DOI: 10.1016/j.bmc.2007.02.043
BindingDB Entry DOI: 10.7270/Q28G8J9M
More data for this
Ligand-Target Pair