BDBM79211 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;hydrate;hydrochloride::METHIXENE::MLS002153842::Metixene::Metixene hydrochloride::SMR001233205::cid_71177

SMILES: CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1

InChI Key: InChIKey=MJFJKKXQDNNUJF-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 79211   

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
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM79211 (1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;h...) Show SMILES CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1 Show InChI InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM79211 (1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;h...) Show SMILES CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1 Show InChI InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay				Eur J Med Chem 46: 2170-84 (2011) Article DOI: 10.1016/j.ejmech.2011.02.071 BindingDB Entry DOI: 10.7270/Q2BK1CPG
					More data for this Ligand-Target Pair
Proteasome subunit alpha type-6 (Homo sapiens (Human))	BDBM79211 (1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;h...) Show SMILES CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1 Show InChI InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.19E+4	n/a	n/a	7.5	37
Michigan State University					Assay Description Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...				ACS Chem Biol 12: 2240-2247 (2017) Article DOI: 10.1021/acschembio.7b00489 BindingDB Entry DOI: 10.7270/Q2DV1H2F
					More data for this Ligand-Target Pair