Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50275599'   

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))	BDBM50275599 (CHEMBL4127213) Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccccc1 Show InChI InChI=1S/C19H17N5OS/c1-25-14-10-6-5-9-13(14)11-21-19-23-16(20)15-18(24-19)26-17(22-15)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H3,20,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.70	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]-ZM 241,385 from human A2A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation counting method				Bioorg Med Chem 26: 3688-3695 (2018) Article DOI: 10.1016/j.bmc.2018.05.048 BindingDB Entry DOI: 10.7270/Q2D50QFK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275599 (CHEMBL4127213) Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccccc1 Show InChI InChI=1S/C19H17N5OS/c1-25-14-10-6-5-9-13(14)11-21-19-23-16(20)15-18(24-19)26-17(22-15)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H3,20,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113907 BindingDB Entry DOI: 10.7270/Q20K2DJC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275599 (CHEMBL4127213) Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccccc1 Show InChI InChI=1S/C19H17N5OS/c1-25-14-10-6-5-9-13(14)11-21-19-23-16(20)15-18(24-19)26-17(22-15)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H3,20,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	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 A2A adenosine receptor expressed in CHO cells assessed as inhibition of basal cAMP level after 30 mins by Alphascre...				Bioorg Med Chem 26: 3688-3695 (2018) Article DOI: 10.1016/j.bmc.2018.05.048 BindingDB Entry DOI: 10.7270/Q2D50QFK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275599 (CHEMBL4127213) Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccccc1 Show InChI InChI=1S/C19H17N5OS/c1-25-14-10-6-5-9-13(14)11-21-19-23-16(20)15-18(24-19)26-17(22-15)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H3,20,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Antagonist activity at human A2A adenosine receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP level after 30 mins by ...				Bioorg Med Chem 26: 3688-3695 (2018) Article DOI: 10.1016/j.bmc.2018.05.048 BindingDB Entry DOI: 10.7270/Q2D50QFK
					More data for this Ligand-Target Pair