BDBM50176830 CHEMBL391004::methyl 1-(2-chloro-2-phenylethyl)-4-(phenethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1

InChI Key: InChIKey=ZMUFGWSRGANJQR-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 = 50176830   

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)	BDBM50176830 (CHEMBL391004 | methyl 1-(2-chloro-2-phenylethyl)-4...) Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 Show InChI InChI=1S/C24H23ClN4O2/c1-31-24(30)20-14-27-23-19(22(20)26-13-12-17-8-4-2-5-9-17)15-28-29(23)16-21(25)18-10-6-3-7-11-18/h2-11,14-15,21H,12-13,16H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	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 A2a (Homo sapiens (Human))	BDBM50176830 (CHEMBL391004 | methyl 1-(2-chloro-2-phenylethyl)-4...) Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 Show InChI InChI=1S/C24H23ClN4O2/c1-31-24(30)20-14-27-23-19(22(20)26-13-12-17-8-4-2-5-9-17)15-28-29(23)16-21(25)18-10-6-3-7-11-18/h2-11,14-15,21H,12-13,16H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23E+3	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]CGS21680 from adenosine A2A 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