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SMILES: COc1cc2CCN(CCCOc3ccc(C(C)=O)c(O)c3)Cc2cc1OC

InChI Key: InChIKey=UGTOHDDXGFCAEE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50513743   

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 (Electrophorus electricus (Electric eel))	BDBM50513743 (CHEMBL4438605) Show SMILES COc1cc2CCN(CCCOc3ccc(C(C)=O)c(O)c3)Cc2cc1OC Show InChI InChI=1S/C22H27NO5/c1-15(24)19-6-5-18(13-20(19)25)28-10-4-8-23-9-7-16-11-21(26-2)22(27-3)12-17(16)14-23/h5-6,11-13,25H,4,7-10,14H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guizhou Medical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide incubated for 15 mins as substrate by Ellman's method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126625
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513743 (CHEMBL4438605) Show SMILES COc1cc2CCN(CCCOc3ccc(C(C)=O)c(O)c3)Cc2cc1OC Show InChI InChI=1S/C22H27NO5/c1-15(24)19-6-5-18(13-20(19)25)28-10-4-8-23-9-7-16-11-21(26-2)22(27-3)12-17(16)14-23/h5-6,11-13,25H,4,7-10,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guizhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorimetric assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126625
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50513743 (CHEMBL4438605) Show SMILES COc1cc2CCN(CCCOc3ccc(C(C)=O)c(O)c3)Cc2cc1OC Show InChI InChI=1S/C22H27NO5/c1-15(24)19-6-5-18(13-20(19)25)28-10-4-8-23-9-7-16-11-21(26-2)22(27-3)12-17(16)14-23/h5-6,11-13,25H,4,7-10,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guizhou Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins by Ellman's method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126625
					More data for this Ligand-Target Pair