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SMILES: Cn1c2nc3CN(CCOc4ccccc4F)CCn3c2c(=O)n(C)c1=O

InChI Key: InChIKey=HNKSQDDUIQPGOK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50534214   

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 (Rattus norvegicus (rat))	BDBM50534214 (CHEMBL4471953) Show SMILES Cn1c2nc3CN(CCOc4ccccc4F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20FN5O3/c1-21-16-15(17(25)22(2)18(21)26)24-8-7-23(11-14(24)20-16)9-10-27-13-6-4-3-5-12(13)19/h3-6H,7-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50534214 (CHEMBL4471953) Show SMILES Cn1c2nc3CN(CCOc4ccccc4F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20FN5O3/c1-21-16-15(17(25)22(2)18(21)26)24-8-7-23(11-14(24)20-16)9-10-27-13-6-4-3-5-12(13)19/h3-6H,7-11H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from human A2B receptor expressed in CHO cell membrane				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50534214 (CHEMBL4471953) Show SMILES Cn1c2nc3CN(CCOc4ccccc4F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20FN5O3/c1-21-16-15(17(25)22(2)18(21)26)24-8-7-23(11-14(24)20-16)9-10-27-13-6-4-3-5-12(13)19/h3-6H,7-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50534214 (CHEMBL4471953) Show SMILES Cn1c2nc3CN(CCOc4ccccc4F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20FN5O3/c1-21-16-15(17(25)22(2)18(21)26)24-8-7-23(11-14(24)20-16)9-10-27-13-6-4-3-5-12(13)19/h3-6H,7-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+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 Displacement of [3H]PSB-11 from human A3 receptor expressed in CHO cell membrane by liquid scintillation counting method relative to control				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50534214 (CHEMBL4471953) Show SMILES Cn1c2nc3CN(CCOc4ccccc4F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20FN5O3/c1-21-16-15(17(25)22(2)18(21)26)24-8-7-23(11-14(24)20-16)9-10-27-13-6-4-3-5-12(13)19/h3-6H,7-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 30 mins followed by addition of p-tyramine ...				Bioorg Med Chem 24: 5462-5480 (2016) Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836
					More data for this Ligand-Target Pair