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BDBM50120450 1-(2-Chloro-3-phenoxy-propyl)-4-(2-ethoxy-ethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester; hydrochloride::CHEMBL544856

SMILES: CCOCCNc1c(cnc2n(CC(Cl)COc3ccccc3)ncc12)C(=O)OCC

InChI Key: InChIKey=HBLDIZVJYQRQOU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120450   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine A1 receptor


(BOVINE)		BDBM50120450
PNG
(1-(2-Chloro-3-phenoxy-propyl)-4-(2-ethoxy-ethylami...)
Show SMILES CCOCCNc1c(cnc2n(CC(Cl)COc3ccccc3)ncc12)C(=O)OCC
Show InChI InChI=1S/C22H27ClN4O4/c1-3-29-11-10-24-20-18-13-26-27(21(18)25-12-19(20)22(28)30-4-2)14-16(23)15-31-17-8-6-5-7-9-17/h5-9,12-13,16H,3-4,10-11,14-15H2,1-2H3,(H,24,25)
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Similars
PubMed
 2.69E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.

J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair