BDBM50176853 CHEMBL224852::sec-butyl 1-(2-chloro-2-phenylethyl)-4-(cyclopropylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: CCC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1

InChI Key: InChIKey=UDDYZKUDMQCGFA-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 = 50176853   

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)	BDBM50176853 (CHEMBL224852 | sec-butyl 1-(2-chloro-2-phenylethyl...) Show SMILES CCC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1 Show InChI InChI=1S/C22H25ClN4O2/c1-3-14(2)29-22(28)18-11-24-21-17(20(18)26-16-9-10-16)12-25-27(21)13-19(23)15-7-5-4-6-8-15/h4-8,11-12,14,16,19H,3,9-10,13H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	197	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