BDBM50176852 1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid cyclopropylmethyl ester::CHEMBL375690

SMILES: Cc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OCC2CC2)cc1

InChI Key: InChIKey=IWQXSZVGOYWAGJ-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 = 50176852   

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)	BDBM50176852 (1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...) Show SMILES Cc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OCC2CC2)cc1 Show InChI InChI=1S/C28H29ClN4O2/c1-19-7-9-20(10-8-19)13-14-30-26-23-16-32-33(17-25(29)22-5-3-2-4-6-22)27(23)31-15-24(26)28(34)35-18-21-11-12-21/h2-10,15-16,21,25H,11-14,17-18H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	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