Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50457091'   

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))	BDBM50457091 (CHEMBL4207104) Show SMILES Cn1c2c(nc(N)n3nc(nc23)-c2ccco2)n(CCN2CCN(CC2)c2ccc(C#N)c(F)c2)c1=O Show InChI InChI=1S/C24H23FN10O2/c1-31-19-21(29-23(27)35-22(19)28-20(30-35)18-3-2-12-37-18)34(24(31)36)11-8-32-6-9-33(10-7-32)16-5-4-15(14-26)17(25)13-16/h2-5,12-13H,6-11H2,1H3,(H2,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50457091 (CHEMBL4207104) Show SMILES Cn1c2c(nc(N)n3nc(nc23)-c2ccco2)n(CCN2CCN(CC2)c2ccc(C#N)c(F)c2)c1=O Show InChI InChI=1S/C24H23FN10O2/c1-31-19-21(29-23(27)35-22(19)28-20(30-35)18-3-2-12-37-18)34(24(31)36)11-8-32-6-9-33(10-7-32)16-5-4-15(14-26)17(25)13-16/h2-5,12-13H,6-11H2,1H3,(H2,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	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