Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50500125'   

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))	BDBM50500125 (CHEMBL3746487) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCc3cccc(Cl)c3)nc(N=[N+]=[N-])nc12)C(=O)NC |r| Show InChI InChI=1S/C20H20ClN9O3/c1-23-18(33)20-6-11(20)13(14(31)15(20)32)30-8-25-12-16(26-19(28-29-22)27-17(12)30)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,31-32H,6-7H2,1H3,(H,23,33)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]2-[p(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamido-adenosine from human adenosine A2A receptor stably expressed in HEK2...				Medchemcomm 6: 555-563 Article DOI: 10.1039/c4md00571f BindingDB Entry DOI: 10.7270/Q2DB84W4
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