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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 = 'BDBM50281148'   
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))		BDBM50281148
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(3-phenoxy-piperidin-1...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Oc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C21H25ClN6O5/c22-21-24-18(26-27-8-4-7-13(9-27)32-12-5-2-1-3-6-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)33-20/h1-3,5-6,11,13-14,16-17,20,29-31H,4,7-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1
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Similars
Article
 15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain

Bioorg Med Chem Lett 3: 2661-2666 (1993)


Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
More data for this
Ligand-Target Pair