Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50449651'   

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))	BDBM50449651 (CHEMBL4172818) Show SMILES Nc1nc(NCc2cnccn2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N7OS/c15-11-10-13(23-12(19-10)9-2-1-5-22-9)21-14(20-11)18-7-8-6-16-3-4-17-8/h1-6H,7H2,(H3,15,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449651 (CHEMBL4172818) Show SMILES Nc1nc(NCc2cnccn2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N7OS/c15-11-10-13(23-12(19-10)9-2-1-5-22-9)21-14(20-11)18-7-8-6-16-3-4-17-8/h1-6H,7H2,(H3,15,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50449651 (CHEMBL4172818) Show SMILES Nc1nc(NCc2cnccn2)nc2sc(nc12)-c1ccco1 Show InChI InChI=1S/C14H11N7OS/c15-11-10-13(23-12(19-10)9-2-1-5-22-9)21-14(20-11)18-7-8-6-16-3-4-17-8/h1-6H,7H2,(H3,15,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...				Eur J Med Chem 155: 552-561 (2018) Article DOI: 10.1016/j.ejmech.2018.06.020 BindingDB Entry DOI: 10.7270/Q2P55R3W
					More data for this Ligand-Target Pair