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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 = 'BDBM50199966'   
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))
BDBM50199966
PNG
(CHEMBL218505 | N6-methyl-2-[4-(4-propoxyphenyl)-1,...)
Show SMILES CCCOc1ccc(cc1)-c1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H26N8O5/c1-3-8-34-13-6-4-12(5-7-13)14-9-30(28-27-14)22-25-19(23-2)16-20(26-22)29(11-24-16)21-18(33)17(32)15(10-31)35-21/h4-7,9,11,15,17-18,21,31-33H,3,8,10H2,1-2H3,(H,23,25,26)/t15-,17-,18-,21-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
25.2n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)
BDBM50199966
PNG
(CHEMBL218505 | N6-methyl-2-[4-(4-propoxyphenyl)-1,...)
Show SMILES CCCOc1ccc(cc1)-c1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H26N8O5/c1-3-8-34-13-6-4-12(5-7-13)14-9-30(28-27-14)22-25-19(23-2)16-20(26-22)29(11-24-16)21-18(33)17(32)15(10-31)35-21/h4-7,9,11,15,17-18,21,31-33H,3,8,10H2,1-2H3,(H,23,25,26)/t15-,17-,18-,21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair