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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM21218'   
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 A3


(Homo sapiens (human))
BDBM21218
PNG
(2,5,8-trimethyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d :...)
Show SMILES Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21
Show InChI InChI=1S/C12H12N6/c1-4-13-7-8(14-4)10-12(18-6(3)16-10)11-9(7)15-5(2)17-11/h1-3H3,(H,13,14)(H,15,17)(H,16,18)
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UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21218
PNG
(2,5,8-trimethyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d :...)
Show SMILES Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21
Show InChI InChI=1S/C12H12N6/c1-4-13-7-8(14-4)10-12(18-6(3)16-10)11-9(7)15-5(2)17-11/h1-3H3,(H,13,14)(H,15,17)(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair