BDBM22872 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine;maleate::1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine::1-{6-chloro-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-yl}-4-methylpiperazine::CHEMBL64249::CLOROTEPINE (+)::CLOROTEPINE(-)::Clothepin::OCTOCLOTHEPIN,(+)::OCTOCLOTHEPIN,(-)::Octoclothepin::Octoclothepine

SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12

InChI Key InChIKey=XRYLGRGAWQSVQW-UHFFFAOYSA-N

Data  27 KI  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22872   

TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay