BDBM50176821 CHEMBL223340::propyl 1-(2-chloro-2-phenylethyl)-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1

InChI Key: InChIKey=VHYRCGIELIZFFK-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 = 50176821   

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 receptor A2a (Homo sapiens (Human))	BDBM50176821 (CHEMBL223340 | propyl 1-(2-chloro-2-phenylethyl)-4...) Show SMILES CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1 Show InChI InChI=1S/C22H25ClN4O2/c1-2-12-29-22(28)18-13-24-21-17(20(18)26-10-6-7-11-26)14-25-27(21)15-19(23)16-8-4-3-5-9-16/h3-5,8-9,13-14,19H,2,6-7,10-12,15H2,1H3	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	1.99E+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
Adenosine A1 receptor (BOVINE)	BDBM50176821 (CHEMBL223340 | propyl 1-(2-chloro-2-phenylethyl)-4...) Show SMILES CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1 Show InChI InChI=1S/C22H25ClN4O2/c1-2-12-29-22(28)18-13-24-21-17(20(18)26-10-6-7-11-26)14-25-27(21)15-19(23)16-8-4-3-5-9-16/h3-5,8-9,13-14,19H,2,6-7,10-12,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.97E+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]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