Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50457102'   

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))	BDBM50457102 (CHEMBL4205030) Show SMILES COCCOc1cc(F)c(cc1F)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1 Show InChI InChI=1S/C26H29F2N9O4/c1-33-21-23(31-25(29)37-24(21)30-22(32-37)19-4-3-11-40-19)36(26(33)38)10-7-34-5-8-35(9-6-34)18-14-17(28)20(15-16(18)27)41-13-12-39-2/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H2,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 90 mins radioligand binding assay				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50457102 (CHEMBL4205030) Show SMILES COCCOc1cc(F)c(cc1F)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1 Show InChI InChI=1S/C26H29F2N9O4/c1-33-21-23(31-25(29)37-24(21)30-22(32-37)19-4-3-11-40-19)36(26(33)38)10-7-34-5-8-35(9-6-34)18-14-17(28)20(15-16(18)27)41-13-12-39-2/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H2,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 ...				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair