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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 = 'BDBM50086152'   
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


(BOVINE)		BDBM50086152
PNG
(4-Amino-6-benzylamino-2-phenyl-2H-[1,2,4]triazolo[...)
Show SMILES Nc1nc2c(NCc3ccccc3)cccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C22H18N6O/c23-20-21-26-28(16-10-5-2-6-11-16)22(29)27(21)18-13-7-12-17(19(18)25-20)24-14-15-8-3-1-4-9-15/h1-13,24H,14H2,(H2,23,25)
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Similars
PubMed
 730n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair