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SMILES: COc1cc2nc(N)n3nc(nc3c2cc1F)[C@@H]1CC[C@H](C)N(C1)c1cnn(c1)C1CCC(C)(O)CC1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 551551   

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 A2b (Homo sapiens (Human))	BDBM551551 (US11312719, Example 97) Show SMILES COc1cc2nc(N)n3nc(nc3c2cc1F)[C@@H]1CC[C@H](C)N(C1)c1cnn(c1)C1CCC(C)(O)CC1 |r,wD:17.19,20.23,(10.86,-26.5,;9.52,-27.27,;8.19,-26.5,;8.19,-24.96,;6.86,-24.19,;6.86,-22.65,;5.52,-21.88,;5.52,-20.34,;4.19,-22.65,;2.72,-22.17,;1.82,-23.42,;2.72,-24.66,;4.19,-24.19,;5.52,-24.96,;5.52,-26.5,;6.86,-27.27,;6.86,-28.81,;.28,-23.42,;-.49,-24.75,;-2.03,-24.75,;-2.8,-23.42,;-4.34,-23.42,;-2.03,-22.08,;-.49,-22.08,;-2.8,-20.75,;-2.18,-19.34,;-3.32,-18.31,;-4.65,-19.08,;-4.33,-20.59,;-6.06,-18.46,;-6.22,-16.93,;-7.63,-16.3,;-8.87,-17.2,;-9.64,-15.87,;-10.41,-17.2,;-8.71,-18.74,;-7.31,-19.36,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The reported affinity of the compounds of the invention for the human A2b adenosine receptor was determined experimentally using a radioligand filtra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM551551 (US11312719, Example 97) Show SMILES COc1cc2nc(N)n3nc(nc3c2cc1F)[C@@H]1CC[C@H](C)N(C1)c1cnn(c1)C1CCC(C)(O)CC1 |r,wD:17.19,20.23,(10.86,-26.5,;9.52,-27.27,;8.19,-26.5,;8.19,-24.96,;6.86,-24.19,;6.86,-22.65,;5.52,-21.88,;5.52,-20.34,;4.19,-22.65,;2.72,-22.17,;1.82,-23.42,;2.72,-24.66,;4.19,-24.19,;5.52,-24.96,;5.52,-26.5,;6.86,-27.27,;6.86,-28.81,;.28,-23.42,;-.49,-24.75,;-2.03,-24.75,;-2.8,-23.42,;-4.34,-23.42,;-2.03,-22.08,;-.49,-22.08,;-2.8,-20.75,;-2.18,-19.34,;-3.32,-18.31,;-4.65,-19.08,;-4.33,-20.59,;-6.06,-18.46,;-6.22,-16.93,;-7.63,-16.3,;-8.87,-17.2,;-9.64,-15.87,;-10.41,-17.2,;-8.71,-18.74,;-7.31,-19.36,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 148 μL (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 μL compounds of the invention to be tested (test compound) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair