BDBM50104331 1-(2-Chloro-2-phenyl-ethyl)-4-morpholin-4-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester::CHEMBL86275::ethyl 1-(2-chloro-2-phenylethyl)-4-morpholino-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1

InChI Key: InChIKey=VHCHHBWRTJDFKN-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 = 50104331   

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)	BDBM50104331 (1-(2-Chloro-2-phenyl-ethyl)-4-morpholin-4-yl-1H-py...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1 Show InChI InChI=1S/C21H23ClN4O3/c1-2-29-21(27)17-12-23-20-16(19(17)25-8-10-28-11-9-25)13-24-26(20)14-18(22)15-6-4-3-5-7-15/h3-7,12-13,18H,2,8-11,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	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)	BDBM50104331 (1-(2-Chloro-2-phenyl-ethyl)-4-morpholin-4-yl-1H-py...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1 Show InChI InChI=1S/C21H23ClN4O3/c1-2-29-21(27)17-12-23-20-16(19(17)25-8-10-28-11-9-25)13-24-26(20)14-18(22)15-6-4-3-5-7-15/h3-7,12-13,18H,2,8-11,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	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