Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50150762'   

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))	BDBM50150762 ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/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	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IIQAB (CSIC) Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells				J Med Chem 47: 4041-53 (2004) Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50150762 ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/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	n/a	n/a	1.40	n/a	n/a	n/a	n/a
IIQAB (CSIC) Curated by ChEMBL					Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor				J Med Chem 47: 4041-53 (2004) Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9
					More data for this Ligand-Target Pair