BindingDB logo
myBDB logout

PubMed code 23597047

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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))
BDBM50420419
PNG
(CHEMBL2089337)
Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C20H19N5O3/c1-28-24-19-15-20(23-14(22-19)8-7-11-5-3-2-4-6-11)25(10-21-15)16-12-9-13(12)17(26)18(16)27/h2-6,10,12-13,16-18,26-27H,9H2,1H3,(H,22,23,24)/t12-,13+,16+,17+,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Partial agonist activity at human A3 adenosine receptor


J Med Chem 56: 3749-67 (2013)


Article DOI: 10.1021/jm400422s
BindingDB Entry DOI: 10.7270/Q2N58NR0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50420427
PNG
(CHEMBL2089346)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C27H25N5O2/c33-24-20-15-19(20)23(25(24)34)32-16-29-22-26(28-14-13-18-9-5-2-6-10-18)30-21(31-27(22)32)12-11-17-7-3-1-4-8-17/h1-10,16,19-20,23-25,33-34H,13-15H2,(H,28,30,31)/t19-,20+,23+,24+,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at A3 adenosine receptor (unknown origin) assessed as inhibition of adenylate cyclase activity


J Med Chem 56: 3749-67 (2013)


Article DOI: 10.1021/jm400422s
BindingDB Entry DOI: 10.7270/Q2N58NR0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50432633
PNG
(CHEMBL2347371)
Show SMILES Nc1nc(Cn2nnc(n2)-c2ccccc2)nc(Nc2ccccc2)n1
Show InChI InChI=1S/C17H15N9/c18-16-20-14(21-17(22-16)19-13-9-5-2-6-10-13)11-26-24-15(23-25-26)12-7-3-1-4-8-12/h1-10H,11H2,(H3,18,19,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor transfected in CHO cells after 60 mins by liquid scintillation counting ...


J Med Chem 56: 3749-67 (2013)


Article DOI: 10.1021/jm400422s
BindingDB Entry DOI: 10.7270/Q2N58NR0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50432634
PNG
(CHEMBL2347374)
Show SMILES CCOc1cccc2cc(C(=O)NCc3ccccn3)c(=N)oc12
Show InChI InChI=1S/C18H17N3O3/c1-2-23-15-8-5-6-12-10-14(17(19)24-16(12)15)18(22)21-11-13-7-3-4-9-20-13/h3-10,19H,2,11H2,1H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
400n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant A1 adenosine receptor transfected in CHO cells after 60 mins by liquid scintillation counting analys...


J Med Chem 56: 3749-67 (2013)


Article DOI: 10.1021/jm400422s
BindingDB Entry DOI: 10.7270/Q2N58NR0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50432634
PNG
(CHEMBL2347374)
Show SMILES CCOc1cccc2cc(C(=O)NCc3ccccn3)c(=N)oc12
Show InChI InChI=1S/C18H17N3O3/c1-2-23-15-8-5-6-12-10-14(17(19)24-16(12)15)18(22)21-11-13-7-3-4-9-20-13/h3-10,19H,2,11H2,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
740n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human A2A adenosine receptor transfected in HEK293 cells after 60 mins by liquid scintillation counting analysis


J Med Chem 56: 3749-67 (2013)


Article DOI: 10.1021/jm400422s
BindingDB Entry DOI: 10.7270/Q2N58NR0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%