BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50527848'   
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))		BDBM50527848
PNG
(CHEMBL4521342)
Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(F)c(F)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r|
Show InChI InChI=1S/C25H20ClF2N5O2S/c26-18-5-2-13(36-18)3-6-19-31-24(29-8-7-12-1-4-16(27)17(28)9-12)20-25(32-19)33(11-30-20)21-14-10-15(14)22(34)23(21)35/h1-2,4-5,9,11,14-15,21-23,34-35H,7-8,10H2,(H,29,31,32)/t14-,15+,21+,22+,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 47n/an/an/an/an/an/an/an/a



Medical College of Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...

J Med Chem 63: 4334-4348 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00235
BindingDB Entry DOI: 10.7270/Q2JS9TWH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Mus musculus)		BDBM50527848
PNG
(CHEMBL4521342)
Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(F)c(F)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r|
Show InChI InChI=1S/C25H20ClF2N5O2S/c26-18-5-2-13(36-18)3-6-19-31-24(29-8-7-12-1-4-16(27)17(28)9-12)20-25(32-19)33(11-30-20)21-14-10-15(14)22(34)23(21)35/h1-2,4-5,9,11,14-15,21-23,34-35H,7-8,10H2,(H,29,31,32)/t14-,15+,21+,22+,23-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.52E+3n/an/an/an/an/an/an/an/a



Medical College of Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...

J Med Chem 63: 4334-4348 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00235
BindingDB Entry DOI: 10.7270/Q2JS9TWH
More data for this
Ligand-Target Pair