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SMILES: O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCOCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key: InChIKey=FZOANTXMSWZBQJ-KSVNGYGVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50180228   
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))		BDBM50180228
PNG
(((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCOCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C21H22ClIN6O4S/c22-21-26-17(24-9-11-2-1-3-12(23)8-11)13-18(27-21)29(10-25-13)20-15(31)14(30)16(34-20)19(32)28-4-6-33-7-5-28/h1-3,8,10,14-16,20,30-31H,4-7,9H2,(H,24,26,27)/t14-,15+,16-,20+/m0/s1
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Article
PubMed
 510n/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 transfected in CHO cells

J Med Chem 49: 273-81 (2006)


Article DOI: 10.1021/jm050595e
BindingDB Entry DOI: 10.7270/Q2736QG2
More data for this
Ligand-Target Pair