BDBM50195811 CHEMBL3945872

SMILES: COc1cc(\C=C\C(=O)Nc2cccc(CN(C)Cc3ccccc3)c2)ccc1O

InChI Key: InChIKey=OSLSNUMCXBJEGP-WYMLVPIESA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50195811   

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] B (Homo sapiens (Human))	BDBM50195811 (CHEMBL3945872) Show SMILES COc1cc(\C=C\C(=O)Nc2cccc(CN(C)Cc3ccccc3)c2)ccc1O Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-7-4-3-5-8-20)18-21-9-6-10-22(15-21)26-25(29)14-12-19-11-13-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b14-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB using p-tyramine as substrate incubated for 15 mins by fluorimetric method				Eur J Med Chem 121: 376-386 (2016) Article DOI: 10.1016/j.ejmech.2016.05.055 BindingDB Entry DOI: 10.7270/Q2HX1FNV
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50195811 (CHEMBL3945872) Show SMILES COc1cc(\C=C\C(=O)Nc2cccc(CN(C)Cc3ccccc3)c2)ccc1O Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-7-4-3-5-8-20)18-21-9-6-10-22(15-21)26-25(29)14-12-19-11-13-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b14-12+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using p-tyramine as substrate incubated for 15 mins by fluorimetric method				Eur J Med Chem 121: 376-386 (2016) Article DOI: 10.1016/j.ejmech.2016.05.055 BindingDB Entry DOI: 10.7270/Q2HX1FNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50195811 (CHEMBL3945872) Show SMILES COc1cc(\C=C\C(=O)Nc2cccc(CN(C)Cc3ccccc3)c2)ccc1O Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-7-4-3-5-8-20)18-21-9-6-10-22(15-21)26-25(29)14-12-19-11-13-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b14-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for ...				Eur J Med Chem 121: 376-386 (2016) Article DOI: 10.1016/j.ejmech.2016.05.055 BindingDB Entry DOI: 10.7270/Q2HX1FNV
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50195811 (CHEMBL3945872) Show SMILES COc1cc(\C=C\C(=O)Nc2cccc(CN(C)Cc3ccccc3)c2)ccc1O Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-7-4-3-5-8-20)18-21-9-6-10-22(15-21)26-25(29)14-12-19-11-13-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b14-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured for 5 mins by E...				Eur J Med Chem 121: 376-386 (2016) Article DOI: 10.1016/j.ejmech.2016.05.055 BindingDB Entry DOI: 10.7270/Q2HX1FNV
					More data for this Ligand-Target Pair