Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a/A2b' and Ligand = 'BDBM50407525'   

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/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50407525 (CHEMBL2113387) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12 |r| Show InChI InChI=1S/C17H24N4O4/c22-8-12-14(23)15(24)17(25-12)21-9-19-13-11(6-7-18-16(13)21)20-10-4-2-1-3-5-10/h6-7,9-10,12,14-15,17,22-24H,1-5,8H2,(H,18,20)/t12-,14-,15-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from A2-receptor of rat striatal membranes				J Med Chem 31: 1179-83 (1988) BindingDB Entry DOI: 10.7270/Q2QC042G
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50407525 (CHEMBL2113387) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12 |r| Show InChI InChI=1S/C17H24N4O4/c22-8-12-14(23)15(24)17(25-12)21-9-19-13-11(6-7-18-16(13)21)20-10-4-2-1-3-5-10/h6-7,9-10,12,14-15,17,22-24H,1-5,8H2,(H,18,20)/t12-,14-,15-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Inhibition of Adenylate cyclase activity in rat fat cell membrane at adenosine A1 receptor				J Med Chem 31: 1179-83 (1988) BindingDB Entry DOI: 10.7270/Q2QC042G
					More data for this Ligand-Target Pair