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BDBM50304647 9-[5'-(3,3-Diphenylpropylaminocarbonyl-4'-thio-beta-Dribofuranosyl)]-N6-(3-iodobenzyl)adenine::CHEMBL593445

SMILES: O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)n1cnc2c(NCc3cccc(I)c3)ncnc12

InChI Key: InChIKey=RUMZCEJBPUFPRS-YRIIQKNPSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50304647   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50304647
PNG
(9-[5'-(3,3-Diphenylpropylaminocarbonyl-4'-thio-bet...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C30H27IN6O3S/c31-21-13-7-8-18(14-21)15-32-27-23-28(34-16-33-27)37(17-35-23)30-25(39)24(38)26(41-30)29(40)36-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,16-17,22,24-26,30,38-39H,15H2,(H,36,40)(H,32,33,34)/t24-,25+,26-,30+/m0/s1
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Similars
Article
PubMed
 116n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


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

Bioorg Med Chem 17: 8003-11 (2009)


Article DOI: 10.1016/j.bmc.2009.10.011
BindingDB Entry DOI: 10.7270/Q29K4B9Z
More data for this
Ligand-Target Pair