BDBM50176846 CHEMBL376747::butyl 1-(2-chloro-2-phenylethyl)-4-(propylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: CCCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCC

InChI Key: InChIKey=FLWKAIOMXDXDCR-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 = 50176846   

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)	BDBM50176846 (CHEMBL376747 | butyl 1-(2-chloro-2-phenylethyl)-4-...) Show SMILES CCCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCC Show InChI InChI=1S/C22H27ClN4O2/c1-3-5-12-29-22(28)18-13-25-21-17(20(18)24-11-4-2)14-26-27(21)15-19(23)16-9-7-6-8-10-16/h6-10,13-14,19H,3-5,11-12,15H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	959	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair