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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 = 'BDBM50290900'   
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))		BDBM50290900
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-2-hydroxy-...)
Show SMILES CC(Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C19H23N5O5/c1-10(14(26)11-5-3-2-4-6-11)23-17-13-18(21-8-20-17)24(9-22-13)19-16(28)15(27)12(7-25)29-19/h2-6,8-10,12,14-16,19,25-28H,7H2,1H3,(H,20,21,23)/t10?,12-,14-,15-,16-,19-/m1/s1
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Similars
Article
 2.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H](R)-PIA displacement.

Bioorg Med Chem Lett 7: 3085-3090 (1997)


Article DOI: 10.1016/S0960-894X(97)10177-9
BindingDB Entry DOI: 10.7270/Q2SQ90W2
More data for this
Ligand-Target Pair