BDBM50176819 CHEMBL225026::methyl 4-(benzylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1

InChI Key: InChIKey=JPKVNXGYCSFLGI-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 = 50176819   

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)	BDBM50176819 (CHEMBL225026 | methyl 4-(benzylamino)-1-(2-chloro-...) Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1 Show InChI InChI=1S/C23H21ClN4O2/c1-30-23(29)19-13-26-22-18(21(19)25-12-16-8-4-2-5-9-16)14-27-28(22)15-20(24)17-10-6-3-7-11-17/h2-11,13-14,20H,12,15H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	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))	BDBM50176819 (CHEMBL225026 | methyl 4-(benzylamino)-1-(2-chloro-...) Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1 Show InChI InChI=1S/C23H21ClN4O2/c1-30-23(29)19-13-26-22-18(21(19)25-12-16-8-4-2-5-9-16)14-27-28(22)15-20(24)17-10-6-3-7-11-17/h2-11,13-14,20H,12,15H2,1H3,(H,25,26)	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	7.57E+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