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SMILES: CN1C(=O)c2nc(nc(c2C1=O)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=VIHYQLNAVBSOKL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50533826   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine kinase (Homo sapiens (Human))	BDBM50533826 (CHEMBL4520524) Show SMILES CN1C(=O)c2nc(nc(c2C1=O)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H13N3O2/c1-22-18(23)14-15(12-8-4-2-5-9-12)20-17(21-16(14)19(22)24)13-10-6-3-7-11-13/h2-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50533826 (CHEMBL4520524) Show SMILES CN1C(=O)c2nc(nc(c2C1=O)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H13N3O2/c1-22-18(23)14-15(12-8-4-2-5-9-12)20-17(21-16(14)19(22)24)13-10-6-3-7-11-13/h2-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5127-5133 (2016) Article DOI: 10.1016/j.bmc.2016.08.026
					More data for this Ligand-Target Pair