BDBM50176843 CHEMBL374620::sec-butyl 1-(2-chloro-2-phenylethyl)-4-(phenethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: CCC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1

InChI Key: InChIKey=UTISTWYMOBJQNI-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 = 50176843   

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)	BDBM50176843 (CHEMBL374620 | sec-butyl 1-(2-chloro-2-phenylethyl...) Show SMILES CCC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 Show InChI InChI=1S/C27H29ClN4O2/c1-3-19(2)34-27(33)23-16-30-26-22(25(23)29-15-14-20-10-6-4-7-11-20)17-31-32(26)18-24(28)21-12-8-5-9-13-21/h4-13,16-17,19,24H,3,14-15,18H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	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