Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50156647'   

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 (Rattus norvegicus (rat))	BDBM50156647 (5-((7R,9aS)-7-(((5-chloro-1,3-dimethyl-1H-pyrazol-...) Show SMILES Cc1nn(C)c(Cl)c1CNC[C@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1 |r| Show InChI InChI=1S/C23H30ClN11O/c1-14-17(19(24)32(2)30-14)11-26-10-15-5-6-16-13-34(8-7-33(16)12-15)22-28-21(25)35-23(29-22)27-20(31-35)18-4-3-9-36-18/h3-4,9,15-16,26H,5-8,10-13H2,1-2H3,(H2,25,27,28,29,31)/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
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