Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50309486'   

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))	BDBM50309486 (CHEMBL589348 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...) Show SMILES CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CC5)[C@@H](O)[C@H]4O)c3n2)c1 |r| Show InChI InChI=1S/C36H43N9O3/c1-22(2)44-19-26(39-20-44)15-16-37-36-42-33(38-18-27(23-9-5-3-6-10-23)24-11-7-4-8-12-24)30-34(43-36)45(21-40-30)29-17-28(31(46)32(29)47)41-35(48)25-13-14-25/h3-12,19-22,25,27-29,31-32,46-47H,13-18H2,1-2H3,(H,41,48)(H2,37,38,42,43)/t28-,29+,31+,32-/m0/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	16	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))	BDBM50309486 (CHEMBL589348 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...) Show SMILES CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CC5)[C@@H](O)[C@H]4O)c3n2)c1 |r| Show InChI InChI=1S/C36H43N9O3/c1-22(2)44-19-26(39-20-44)15-16-37-36-42-33(38-18-27(23-9-5-3-6-10-23)24-11-7-4-8-12-24)30-34(43-36)45(21-40-30)29-17-28(31(46)32(29)47)41-35(48)25-13-14-25/h3-12,19-22,25,27-29,31-32,46-47H,13-18H2,1-2H3,(H,41,48)(H2,37,38,42,43)/t28-,29+,31+,32-/m0/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	60	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