BDBM50206880 CHEMBL3900751

SMILES: COCCN(CC1CCCN(CC#C)C1)S(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=VHUHFVUKZMULIP-UHFFFAOYSA-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 = 50206880   

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))	BDBM50206880 (CHEMBL3900751) Show SMILES COCCN(CC1CCCN(CC#C)C1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H28N2O3S/c1-3-12-23-13-6-7-19(17-23)18-24(14-15-27-2)28(25,26)22-11-10-20-8-4-5-9-21(20)16-22/h1,4-5,8-11,16,19H,6-7,12-15,17-18H2,2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate preincubated for 15 min...				Bioorg Med Chem 25: 633-645 (2017) Article DOI: 10.1016/j.bmc.2016.11.032 BindingDB Entry DOI: 10.7270/Q2HH6N2G
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50206880 (CHEMBL3900751) Show SMILES COCCN(CC1CCCN(CC#C)C1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H28N2O3S/c1-3-12-23-13-6-7-19(17-23)18-24(14-15-27-2)28(25,26)22-11-10-20-8-4-5-9-21(20)16-22/h1,4-5,8-11,16,19H,6-7,12-15,17-18H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChe using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...				Bioorg Med Chem 25: 633-645 (2017) Article DOI: 10.1016/j.bmc.2016.11.032 BindingDB Entry DOI: 10.7270/Q2HH6N2G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50206880 (CHEMBL3900751) Show SMILES COCCN(CC1CCCN(CC#C)C1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H28N2O3S/c1-3-12-23-13-6-7-19(17-23)18-24(14-15-27-2)28(25,26)22-11-10-20-8-4-5-9-21(20)16-22/h1,4-5,8-11,16,19H,6-7,12-15,17-18H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of mouse AChe using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by Ellman's m...				Bioorg Med Chem 25: 633-645 (2017) Article DOI: 10.1016/j.bmc.2016.11.032 BindingDB Entry DOI: 10.7270/Q2HH6N2G
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50206880 (CHEMBL3900751) Show SMILES COCCN(CC1CCCN(CC#C)C1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H28N2O3S/c1-3-12-23-13-6-7-19(17-23)18-24(14-15-27-2)28(25,26)22-11-10-20-8-4-5-9-21(20)16-22/h1,4-5,8-11,16,19H,6-7,12-15,17-18H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate preincubated for 15 min...				Bioorg Med Chem 25: 633-645 (2017) Article DOI: 10.1016/j.bmc.2016.11.032 BindingDB Entry DOI: 10.7270/Q2HH6N2G
					More data for this Ligand-Target Pair