BDBM50104340 1-(2-Chloro-2-phenyl-ethyl)-4-(2-ethoxy-ethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester::CHEMBL86274

SMILES: CCOCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC

InChI Key: InChIKey=QEYGZICPOWNCFL-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50104340   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine A1 receptor (BOVINE)	BDBM50104340 (1-(2-Chloro-2-phenyl-ethyl)-4-(2-ethoxy-ethylamino...) Show SMILES CCOCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC Show InChI InChI=1S/C21H25ClN4O3/c1-3-28-11-10-23-19-16-13-25-26(14-18(22)15-8-6-5-7-9-15)20(16)24-12-17(19)21(27)29-4-2/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Adenosine A1 receptor (BOVINE)	BDBM50104340 (1-(2-Chloro-2-phenyl-ethyl)-4-(2-ethoxy-ethylamino...) Show SMILES CCOCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC Show InChI InChI=1S/C21H25ClN4O3/c1-3-28-11-10-23-19-16-13-25-26(14-18(22)15-8-6-5-7-9-15)20(16)24-12-17(19)21(27)29-4-2/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facoltà di Farmacia dell'Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membrane expressed as Ki				Bioorg Med Chem Lett 11: 2529-31 (2001) BindingDB Entry DOI: 10.7270/Q2K35SZW
					More data for this Ligand-Target Pair