Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a/A2b' and Ligand = 'BDBM50406505'   

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 (Homo sapiens (Human))	BDBM50406505 (CHEMBL605257) Show SMILES Nc1nc(OCCCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H25N5O5/c21-17-14-18(25(11-22-14)19-16(28)15(27)13(10-26)30-19)24-20(23-17)29-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,15-16,19,26-28H,4-5,8-10H2,(H2,21,23,24)/t13-,15-,16-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation				J Med Chem 34: 1340-4 (1991) BindingDB Entry DOI: 10.7270/Q24T6KJM
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