Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM59204'   

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))	BDBM59204 (Adenosine analog, 9) Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.81E+4	-24.6	n/a	n/a	n/a	n/a	n/a	7.4	25
National Institutes of Health					Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM59204 (Adenosine analog, 9) Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.52E+4	-24.3	n/a	n/a	n/a	n/a	n/a	7.4	25
National Institutes of Health					Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM59204 (Adenosine analog, 9) Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM59204 (Adenosine analog, 9) Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.8	n/a	n/a	n/a	n/a	n/a	7.4	25
National Institutes of Health					Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM59204 (Adenosine analog, 9) Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.8	n/a	n/a	n/a	n/a	n/a	7.4	25
National Institutes of Health					Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
					More data for this Ligand-Target Pair