BDBM50120442 1-(2-Chloro-3-phenoxy-propyl)-4-cyclopropylamino-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester; hydrochloride::CHEMBL542748

SMILES: CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NC1CC1

InChI Key: InChIKey=ZOFFROQGAQVLFU-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50120442   

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)	BDBM50120442 (1-(2-Chloro-3-phenoxy-propyl)-4-cyclopropylamino-1...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NC1CC1 Show InChI InChI=1S/C21H23ClN4O3/c1-2-28-21(27)18-10-23-20-17(19(18)25-15-8-9-15)11-24-26(20)12-14(22)13-29-16-6-4-3-5-7-16/h3-7,10-11,14-15H,2,8-9,12-13H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05E+3	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