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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367270'   
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 A1


(Rattus norvegicus (rat))		BDBM50367270
PNG
(CHEMBL606297)
Show SMILES CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C19H22N6O5/c1-20-13(27)6-10-2-4-11(5-3-10)24-17-14-18(22-8-21-17)25(9-23-14)19-16(29)15(28)12(7-26)30-19/h2-5,8-9,12,15-16,19,26,28-29H,6-7H2,1H3,(H,20,27)(H,21,22,24)/t12-,15-,16-,19?/m1/s1
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Similars
PubMed
 16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.

J Med Chem 28: 1341-6 (1985)


BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair