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SMILES: OCC1CC=CC1n1cnc2c(NCc3ccccc3I)ncnc12

InChI Key: InChIKey=HNEJDCMBAFNXAC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50372285   
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 A1


(Rattus norvegicus (rat))		BDBM50372285
PNG
(CHEMBL257684)
Show SMILES OCC1CC=CC1n1cnc2c(NCc3ccccc3I)ncnc12 |w:2.1,6.7,c:4|
Show InChI InChI=1S/C18H18IN5O/c19-14-6-2-1-4-12(14)8-20-17-16-18(22-10-21-17)24(11-23-16)15-7-3-5-13(15)9-25/h1-4,6-7,10-11,13,15,25H,5,8-9H2,(H,20,21,22)
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Similars
Article
PubMed
 2.55E+4n/an/an/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Displacement of [3H]R-N6-phenylisopropyladenosine from adenosine A1 receptor in rat cerebral cortical membrane

Bioorg Med Chem 16: 1658-75 (2008)


Article DOI: 10.1016/j.bmc.2007.11.026
BindingDB Entry DOI: 10.7270/Q20C4WMR
More data for this
Ligand-Target Pair