Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50104338'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50104338 (1-(2-Chloro-2-phenyl-ethyl)-4-(4-methyl-piperazin-...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCN(C)CC1 Show InChI InChI=1S/C22H26ClN5O2/c1-3-30-22(29)18-13-24-21-17(20(18)27-11-9-26(2)10-12-27)14-25-28(21)15-19(23)16-7-5-4-6-8-16/h4-8,13-14,19H,3,9-12,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of [3H]CGS-21680 from Adenosine A2A receptor in bovine striatal membrane				J Med Chem 45: 4875-87 (2002) BindingDB Entry DOI: 10.7270/Q2N87BHS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50104338 (1-(2-Chloro-2-phenyl-ethyl)-4-(4-methyl-piperazin-...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCN(C)CC1 Show InChI InChI=1S/C22H26ClN5O2/c1-3-30-22(29)18-13-24-21-17(20(18)27-11-9-26(2)10-12-27)14-25-28(21)15-19(23)16-7-5-4-6-8-16/h4-8,13-14,19H,3,9-12,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facoltà di Farmacia dell'Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of [3H]-CGS-21,680 binding at A2A adenosine receptor in bovine striatal membrane				Bioorg Med Chem Lett 11: 2529-31 (2001) BindingDB Entry DOI: 10.7270/Q2K35SZW
					More data for this Ligand-Target Pair