BDBM50176834 CHEMBL224307::cyclopropylmethyl 1-(2-chloro-2-phenylethyl)-4-(phenethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: ClC(Cn1ncc2c(NCCc3ccccc3)c(cnc12)C(=O)OCC1CC1)c1ccccc1

InChI Key: InChIKey=RSFJTXQCOHGQNZ-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 = 50176834   

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)	BDBM50176834 (CHEMBL224307 | cyclopropylmethyl 1-(2-chloro-2-phe...) Show SMILES ClC(Cn1ncc2c(NCCc3ccccc3)c(cnc12)C(=O)OCC1CC1)c1ccccc1 Show InChI InChI=1S/C27H27ClN4O2/c28-24(21-9-5-2-6-10-21)17-32-26-22(16-31-32)25(29-14-13-19-7-3-1-4-8-19)23(15-30-26)27(33)34-18-20-11-12-20/h1-10,15-16,20,24H,11-14,17-18H2,(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