BDBM50104334 1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester::CHEMBL432950::ethyl 1-(2-chloro-2-phenylethyl)-4-(phenethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1

InChI Key: InChIKey=HIQBGSUBPJSVCZ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50104334   

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)	BDBM50104334 (1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	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
Adenosine A1 receptor (BOVINE)	BDBM50104334 (1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	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 against bovine Adenosine A1 receptor				J Med Chem 45: 4875-87 (2002) BindingDB Entry DOI: 10.7270/Q2N87BHS
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50104334 (1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	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)	BDBM50104334 (1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	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 Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes with 1 mM GTP				J Med Chem 45: 4875-87 (2002) BindingDB Entry DOI: 10.7270/Q2N87BHS
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50104334 (1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69.7	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 Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes without GTP				J Med Chem 45: 4875-87 (2002) BindingDB Entry DOI: 10.7270/Q2N87BHS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50104334 (1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	73	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 against rat Adenosine A1 receptor				J Med Chem 45: 4875-87 (2002) BindingDB Entry DOI: 10.7270/Q2N87BHS
					More data for this Ligand-Target Pair