BDBM50120443 1-(2-Chloro-3-phenoxy-propyl)-4-phenethylamino-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester::CHEMBL145316

SMILES: CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NCCc1ccccc1

InChI Key: InChIKey=SPCMPXJUKGCALR-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 = 50120443   

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)	BDBM50120443 (1-(2-Chloro-3-phenoxy-propyl)-4-phenethylamino-1H-...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)COc3ccccc3)ncc2c1NCCc1ccccc1 Show InChI InChI=1S/C26H27ClN4O3/c1-2-33-26(32)23-15-29-25-22(24(23)28-14-13-19-9-5-3-6-10-19)16-30-31(25)17-20(27)18-34-21-11-7-4-8-12-21/h3-12,15-16,20H,2,13-14,17-18H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	456	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