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SMILES: COc1cc(F)cc2c3nc(nn3c(N)nc12)C1CC(C)CN(C1)c1cnn(C(C)C(C)O)c1C

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 551674   

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))	BDBM551674 ((2S,3S or 2R,3R)-3-(4-((3R,5S or 3S,5R)-3-(5-amino...) Show SMILES COc1cc(F)cc2c3nc(nn3c(N)nc12)C1CC(C)CN(C1)c1cnn(C(C)C(C)O)c1C 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	20.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM551674 ((2S,3S or 2R,3R)-3-(4-((3R,5S or 3S,5R)-3-(5-amino...) Show SMILES COc1cc(F)cc2c3nc(nn3c(N)nc12)C1CC(C)CN(C1)c1cnn(C(C)C(C)O)c1C 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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM551674 ((2S,3S or 2R,3R)-3-(4-((3R,5S or 3S,5R)-3-(5-amino...) Show SMILES COc1cc(F)cc2c3nc(nn3c(N)nc12)C1CC(C)CN(C1)c1cnn(C(C)C(C)O)c1C 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	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM551674 ((2S,3S or 2R,3R)-3-(4-((3R,5S or 3S,5R)-3-(5-amino...) Show SMILES COc1cc(F)cc2c3nc(nn3c(N)nc12)C1CC(C)CN(C1)c1cnn(C(C)C(C)O)c1C 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	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM551674 ((2S,3S or 2R,3R)-3-(4-((3R,5S or 3S,5R)-3-(5-amino...) Show SMILES COc1cc(F)cc2c3nc(nn3c(N)nc12)C1CC(C)CN(C1)c1cnn(C(C)C(C)O)c1C 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	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM551674 ((2S,3S or 2R,3R)-3-(4-((3R,5S or 3S,5R)-3-(5-amino...) Show SMILES COc1cc(F)cc2c3nc(nn3c(N)nc12)C1CC(C)CN(C1)c1cnn(C(C)C(C)O)c1C 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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM551674 ((2S,3S or 2R,3R)-3-(4-((3R,5S or 3S,5R)-3-(5-amino...) Show SMILES COc1cc(F)cc2c3nc(nn3c(N)nc12)C1CC(C)CN(C1)c1cnn(C(C)C(C)O)c1C 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	34.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compounds to antagonize human A2A and A2B adenosine receptors was determined using a kit to measure changes in intracellular cyclic AM...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SZ0
					More data for this Ligand-Target Pair