Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50309492'   

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))	BDBM50309492 ((2R,3R,4S,5S)-2-(6-(2,2-diphenylethylamino)-2-(2-(...) Show SMILES CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@@H]([C@@H](O)[C@H]4O)n4nnnc4C)c3n2)c1 |r| Show InChI InChI=1S/C34H40N12O2/c1-21(2)44-18-25(37-19-44)14-15-35-34-39-32(36-17-26(23-10-6-4-7-11-23)24-12-8-5-9-13-24)29-33(40-34)45(20-38-29)27-16-28(31(48)30(27)47)46-22(3)41-42-43-46/h4-13,18-21,26-28,30-31,47-48H,14-17H2,1-3H3,(H2,35,36,39,40)/t27-,28+,30+,31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50309492 ((2R,3R,4S,5S)-2-(6-(2,2-diphenylethylamino)-2-(2-(...) Show SMILES CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@@H]([C@@H](O)[C@H]4O)n4nnnc4C)c3n2)c1 |r| Show InChI InChI=1S/C34H40N12O2/c1-21(2)44-18-25(37-19-44)14-15-35-34-39-32(36-17-26(23-10-6-4-7-11-23)24-12-8-5-9-13-24)29-33(40-34)45(20-38-29)27-16-28(31(48)30(27)47)46-22(3)41-42-43-46/h4-13,18-21,26-28,30-31,47-48H,14-17H2,1-3H3,(H2,35,36,39,40)/t27-,28+,30+,31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine...				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair