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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50152073'   
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))		BDBM50152073
PNG
(1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN8O5/c1-24-18-15-19(30(10-26-15)21-17(34)16(33)14(9-32)36-21)29-22(28-18)31-8-12(7-27-31)20(35)25-6-11-2-4-13(23)5-3-11/h2-5,7-8,10,14,16-17,21,32-34H,6,9H2,1H3,(H,25,35)(H,24,28,29)/t14-,16-,17-,21?/m1/s1
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Similars
Article
PubMed
 157n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair