BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50137535   
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))
BDBM50137535
PNG
(CHEMBL3753698)
Show SMILES CC(C)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H23N7O/c1-11(2)18-15-21-16(19-12-7-4-3-5-8-12)24-17(22-15)20-14(23-24)13-9-6-10-25-13/h6,9-12H,3-5,7-8H2,1-2H3,(H2,18,19,20,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
105n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human A3 adenosine receptor expressed in CHO cell membranes


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50137535
PNG
(CHEMBL3753698)
Show SMILES CC(C)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H23N7O/c1-11(2)18-15-21-16(19-12-7-4-3-5-8-12)24-17(22-15)20-14(23-24)13-9-6-10-25-13/h6,9-12H,3-5,7-8H2,1-2H3,(H2,18,19,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
397n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50137535
PNG
(CHEMBL3753698)
Show SMILES CC(C)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H23N7O/c1-11(2)18-15-21-16(19-12-7-4-3-5-8-12)24-17(22-15)20-14(23-24)13-9-6-10-25-13/h6,9-12H,3-5,7-8H2,1-2H3,(H2,18,19,20,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
801n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human A1 adenosine receptor expressed in CHO cell membranes


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair