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SMILES: Cc1cc(cc(n1)N1CCC1)-c1nnc(N)nc1-c1ccc(F)cc1

InChI Key: InChIKey=OZRFIJYBOMLPRU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 493799   

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))	BDBM493799 (US10988455, Example 5(xi)) Show SMILES Cc1cc(cc(n1)N1CCC1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN6/c1-11-9-13(10-15(21-11)25-7-2-8-25)17-16(22-18(20)24-23-17)12-3-5-14(19)6-4-12/h3-6,9-10H,2,7-8H2,1H3,(H2,20,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17.4	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))	BDBM493799 (US10988455, Example 5(xi)) Show SMILES Cc1cc(cc(n1)N1CCC1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN6/c1-11-9-13(10-15(21-11)25-7-2-8-25)17-16(22-18(20)24-23-17)12-3-5-14(19)6-4-12/h3-6,9-10H,2,7-8H2,1H3,(H2,20,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	126	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