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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 = 'BDBM50367386'   
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))		BDBM50367386
PNG
(CHEMBL603571)
Show SMILES COc1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc(OC)c1OC |r|
Show InChI InChI=1S/C21H25N5O8/c1-31-11-6-10(7-12(32-2)16(11)33-3)4-5-22-18-13-19(24-8-23-18)26(9-25-13)20-15(28)14(27)17(34-20)21(29)30/h6-9,14-15,17,20,27-28H,4-5H2,1-3H3,(H,29,30)(H,22,23,24)/t14-,15+,17-,20?/m0/s1
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PubMed
n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor

J Med Chem 29: 1683-9 (1986)


BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair