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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 = 'BDBM50420421'   
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))		BDBM50420421
PNG
(CHEMBL2089339)
Show SMILES CCNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C21H21N5O2/c1-2-22-20-16-21(25-15(24-20)9-8-12-6-4-3-5-7-12)26(11-23-16)17-13-10-14(13)18(27)19(17)28/h3-7,11,13-14,17-19,27-28H,2,10H2,1H3,(H,22,24,25)/t13-,14+,17+,18+,19-/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 5.02n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting

ACS Med Chem Lett 3: 596-601 (2012)


Article DOI: 10.1021/ml300107e
BindingDB Entry DOI: 10.7270/Q2HD7WXX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Mus musculus)		BDBM50420421
PNG
(CHEMBL2089339)
Show SMILES CCNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C21H21N5O2/c1-2-22-20-16-21(25-15(24-20)9-8-12-6-4-3-5-7-12)26(11-23-16)17-13-10-14(13)18(27)19(17)28/h3-7,11,13-14,17-19,27-28H,2,10H2,1H3,(H,22,24,25)/t13-,14+,17+,18+,19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.48E+3n/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]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from mouse adenosine A3 receptor expressed in HEK293 cell membranes aft...

J Med Chem 56: 5949-63 (2014)


Article DOI: 10.1021/jm4007966
BindingDB Entry DOI: 10.7270/Q2GX4D0R
More data for this
Ligand-Target Pair