BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2' and Ligand = 'BDBM50125910'   
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 A2


(Homo sapiens (Human))
BDBM50125910
PNG
(1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- SCH-58261 binding at human Adenosine A2A receptor expressed in CHO cells


J Med Chem 46: 1229-41 (2003)


Article DOI: 10.1021/jm021023m
BindingDB Entry DOI: 10.7270/Q28916KP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50125910
PNG
(1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17.5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity as inhibition of cAMP generation after agonist-modulation of human Adenosine A2A receptor with 100 nM NECA


J Med Chem 46: 1229-41 (2003)


Article DOI: 10.1021/jm021023m
BindingDB Entry DOI: 10.7270/Q28916KP
More data for this
Ligand-Target Pair