BDBM50176832 CHEMBL224909::ethyl 4-(4-chlorophenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

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

InChI Key: InChIKey=WGCPVOVIIPOPSY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50176832   

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)	BDBM50176832 (CHEMBL224909 | ethyl 4-(4-chlorophenethylamino)-1-...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C25H24Cl2N4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(26)11-9-17)15-30-31(24)16-22(27)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176832 (CHEMBL224909 | ethyl 4-(4-chlorophenethylamino)-1-...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C25H24Cl2N4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(26)11-9-17)15-30-31(24)16-22(27)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	153	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 human adenosine A1 receptor expressed in CHO cells				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