BDBM51661 12-Imino-10,11-dioxa-tricyclo[5.3.2.0*1,6*]dodecane-7,8,8-tricarbonitrile::MLS000556893::SMR000148010::cid_3701443

SMILES N=C1OC23CCCCC2C1(C#N)C(CO3)(C#N)C#N

InChI Key InChIKey=LRYUMHXJZJBSIH-YVLHZVERSA-N

Data  3 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 51661   

TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis H37Rv)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM51661(12-Imino-10,11-dioxa-tricyclo[5.3.2.0*1,6*]dodecan...)
Affinity DataIC50:  1.91E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM51661(12-Imino-10,11-dioxa-tricyclo[5.3.2.0*1,6*]dodecan...)
Affinity DataEC50: >1.95E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM51661(12-Imino-10,11-dioxa-tricyclo[5.3.2.0*1,6*]dodecan...)
Affinity DataIC50:  1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNeutrophil cytosol factor 1 [S99G](Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM51661(12-Imino-10,11-dioxa-tricyclo[5.3.2.0*1,6*]dodecan...)
Affinity DataIC50:  5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay