new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine Receptors A2a (A2a)' and Ligand = 'BDBM50369110'   
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50369110
PNG
(CHEMBL605685)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(C)cc1 |r|
Show InChI InChI=1S/C21H22N6O4/c1-3-23-20(30)17-15(28)16(29)21(31-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12-6-4-11(2)5-7-12/h4-7,10,15-17,21,28-29H,3H2,1-2H3,(H,23,30)(H2,22,25,26)/t15-,16+,17-,21?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
36n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand.


J Med Chem 38: 1462-72 (1995)


BindingDB Entry DOI: 10.7270/Q2R78FWX
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50369110
PNG
(CHEMBL605685)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(C)cc1 |r|
Show InChI InChI=1S/C21H22N6O4/c1-3-23-20(30)17-15(28)16(29)21(31-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12-6-4-11(2)5-7-12/h4-7,10,15-17,21,28-29H,3H2,1-2H3,(H,23,30)(H2,22,25,26)/t15-,16+,17-,21?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
36.3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A2A receptor in rat brain striatum


J Med Chem 44: 531-9 (2001)


BindingDB Entry DOI: 10.7270/Q20Z740K
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50369110
PNG
(CHEMBL605685)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(C)cc1 |r|
Show InChI InChI=1S/C21H22N6O4/c1-3-23-20(30)17-15(28)16(29)21(31-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12-6-4-11(2)5-7-12/h4-7,10,15-17,21,28-29H,3H2,1-2H3,(H,23,30)(H2,22,25,26)/t15-,16+,17-,21?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 3.29E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Functional activity against adenosine A2a receptor from rat aorta.


J Med Chem 38: 1462-72 (1995)


BindingDB Entry DOI: 10.7270/Q2R78FWX
More data for this
Ligand-Target Pair