Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50263204'   

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))	BDBM50263204 (CHEMBL4085418) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3ccc(cc3)-c3sc(N)c(C(=O)c4ccccc4)c3-c3cccc(c3)C(F)(F)F)ncnc12 |r| Show InChI InChI=1S/C43H43F3N8O6S/c1-2-48-41(59)35-33(56)34(57)42(60-35)54-23-53-31-38(51-22-52-39(31)54)49-19-8-3-4-9-20-50-40(58)26-17-15-25(16-18-26)36-29(27-13-10-14-28(21-27)43(44,45)46)30(37(47)61-36)32(55)24-11-6-5-7-12-24/h5-7,10-18,21-23,33-35,42,56-57H,2-4,8-9,19-20,47H2,1H3,(H,48,59)(H,50,58)(H,49,51,52)/t33-,34+,35-,42+/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	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences , Monash University , Parkville , Victoria 3052 , Australia. Curated by ChEMBL					Assay Description Agonist activity at human A2A-AR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 mi...				J Med Chem 61: 2087-2103 (2018) Article DOI: 10.1021/acs.jmedchem.8b00047 BindingDB Entry DOI: 10.7270/Q21J9D7Z
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