null

SMILES: CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)c(F)c3)CC2)cc(c1O)C(C)(C)C

InChI Key: InChIKey=PIAQBVLTUJMIOG-CSKARUKUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50469003   

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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50469003 (CHEMBL4281066) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)c(F)c3)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H42F2N2O2/c1-30(2,3)24-17-22(18-25(29(24)37)31(4,5)6)8-10-28(36)34-14-11-21-12-15-35(16-13-21)20-23-7-9-26(32)27(33)19-23/h7-10,17-19,21,37H,11-16,20H2,1-6H3,(H,34,36)/b10-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human MAO-A using p-tyramine as substrate incubated for 15 mins followed by substrate addition measured for 20 mins by fluorescence ass...				Eur J Med Chem 157: 161-176 (2018) Article DOI: 10.1016/j.ejmech.2018.08.005 BindingDB Entry DOI: 10.7270/Q29P34C1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50469003 (CHEMBL4281066) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)c(F)c3)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H42F2N2O2/c1-30(2,3)24-17-22(18-25(29(24)37)31(4,5)6)8-10-28(36)34-14-11-21-12-15-35(16-13-21)20-23-7-9-26(32)27(33)19-23/h7-10,17-19,21,37H,11-16,20H2,1-6H3,(H,34,36)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after...				Eur J Med Chem 157: 161-176 (2018) Article DOI: 10.1016/j.ejmech.2018.08.005 BindingDB Entry DOI: 10.7270/Q29P34C1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50469003 (CHEMBL4281066) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)c(F)c3)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H42F2N2O2/c1-30(2,3)24-17-22(18-25(29(24)37)31(4,5)6)8-10-28(36)34-14-11-21-12-15-35(16-13-21)20-23-7-9-26(32)27(33)19-23/h7-10,17-19,21,37H,11-16,20H2,1-6H3,(H,34,36)/b10-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human MAO-B using p-tyramine as substrate incubated for 15 mins followed by substrate addition measured for 20 mins by fluorescence ass...				Eur J Med Chem 157: 161-176 (2018) Article DOI: 10.1016/j.ejmech.2018.08.005 BindingDB Entry DOI: 10.7270/Q29P34C1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50469003 (CHEMBL4281066) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccc(F)c(F)c3)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H42F2N2O2/c1-30(2,3)24-17-22(18-25(29(24)37)31(4,5)6)8-10-28(36)34-14-11-21-12-15-35(16-13-21)20-23-7-9-26(32)27(33)19-23/h7-10,17-19,21,37H,11-16,20H2,1-6H3,(H,34,36)/b10-8+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 ...				Eur J Med Chem 157: 161-176 (2018) Article DOI: 10.1016/j.ejmech.2018.08.005 BindingDB Entry DOI: 10.7270/Q29P34C1
					More data for this Ligand-Target Pair