BDBM50176845 CHEMBL224619::isopropyl 4-(3-chlorophenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(Cl)c1

InChI Key: InChIKey=MCFKQWMZMTUIAE-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 = 50176845   

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)	BDBM50176845 (CHEMBL224619 | isopropyl 4-(3-chlorophenethylamino...) Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(Cl)c1 Show InChI InChI=1S/C26H26Cl2N4O2/c1-17(2)34-26(33)22-14-30-25-21(24(22)29-12-11-18-7-6-10-20(27)13-18)15-31-32(25)16-23(28)19-8-4-3-5-9-19/h3-10,13-15,17,23H,11-12,16H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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