BDBM50176848 1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid isopropyl ester::CHEMBL224933

SMILES: CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1

InChI Key: InChIKey=YSKPNHYKNAVNFS-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 = 50176848   

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)	BDBM50176848 (1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...) Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1 Show InChI InChI=1S/C27H29ClN4O2/c1-18(2)34-27(33)23-15-30-26-22(25(23)29-14-13-20-11-9-19(3)10-12-20)16-31-32(26)17-24(28)21-7-5-4-6-8-21/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	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