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1 similar compounds to monomer 50176057

Compile data set for download or QSAR
Wt: 230.2
BDBM50176063

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50176063   
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))
BDBM50176063
PNG
(2,9-Dimethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylam...)
Show SMILES Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C9H10N8/c1-5-13-7(10)6-8(14-5)16(2)9(15-6)17-11-3-4-12-17/h3-4H,1-2H3,(H2,10,13,14)
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176063
PNG
(2,9-Dimethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylam...)
Show SMILES Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C9H10N8/c1-5-13-7(10)6-8(14-5)16(2)9(15-6)17-11-3-4-12-17/h3-4H,1-2H3,(H2,10,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair