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SMILES: Cc1cc(cc(n1)C(F)F)-c1nnc(N)nc1-c1ccccc1

InChI Key: InChIKey=MNGOGRYXCCAACX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 493768   

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 receptor A2a (Homo sapiens (Human))	BDBM493768 (US10988455, Example 1(clxxix)) Show SMILES Cc1cc(cc(n1)C(F)F)-c1nnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C16H13F2N5/c1-9-7-11(8-12(20-9)15(17)18)14-13(21-16(19)23-22-14)10-5-3-2-4-6-10/h2-8,15H,1H3,(H2,19,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description All test compounds were prepared as a stock solution of 10 mM in 100% DMSO.Inhibition binding assays were performed using 2.5 μg of membranes pr...				US Patent US10988455 (2021)
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM493768 (US10988455, Example 1(clxxix)) Show SMILES Cc1cc(cc(n1)C(F)F)-c1nnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C16H13F2N5/c1-9-7-11(8-12(20-9)15(17)18)14-13(21-16(19)23-22-14)10-5-3-2-4-6-10/h2-8,15H,1H3,(H2,19,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description All test compounds were prepared as a stock solution of 10 mM in 100% DMSO.Inhibition binding assays were performed using 2.5 μg of membranes pr...				US Patent US10988455 (2021)
					More data for this Ligand-Target Pair