null

SMILES: CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C

InChI Key: InChIKey=SSSYJOIFOJYAAD-OUKQBFOZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50469008   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50469008 (CHEMBL4283390) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H44N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-13,20-21,23,35H,14-19,22H2,1-6H3,(H,32,34)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Mixed-type inhibition of human AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition by Lineweaver-B...				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
Cholinesterase (Homo sapiens (Human))	BDBM50469008 (CHEMBL4283390) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H44N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-13,20-21,23,35H,14-19,22H2,1-6H3,(H,32,34)/b13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured after 180 s...				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] A (Homo sapiens (Human))	BDBM50469008 (CHEMBL4283390) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H44N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-13,20-21,23,35H,14-19,22H2,1-6H3,(H,32,34)/b13-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.23E+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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50469008 (CHEMBL4283390) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H44N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-13,20-21,23,35H,14-19,22H2,1-6H3,(H,32,34)/b13-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+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 (Homo sapiens (Human))	BDBM50469008 (CHEMBL4283390) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H44N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-13,20-21,23,35H,14-19,22H2,1-6H3,(H,32,34)/b13-12+	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	2.23E+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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50469008 (CHEMBL4283390) Show SMILES CC(C)(C)c1cc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C31H44N2O2/c1-30(2,3)26-20-25(21-27(29(26)35)31(4,5)6)12-13-28(34)32-17-14-23-15-18-33(19-16-23)22-24-10-8-7-9-11-24/h7-13,20-21,23,35H,14-19,22H2,1-6H3,(H,32,34)/b13-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	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