Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50500122'   

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))	BDBM50500122 (CHEMBL3746890) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC3CCC3)nc(I)nc12)C(=O)NC |r| Show InChI InChI=1S/C17H21IN6O3/c1-19-15(27)17-5-8(17)10(11(25)12(17)26)24-6-20-9-13(21-7-3-2-4-7)22-16(18)23-14(9)24/h6-8,10-12,25-26H,2-5H2,1H3,(H,19,27)(H,21,22,23)/t8-,10-,11+,12+,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	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
					More data for this Ligand-Target Pair