BDBM50085 2-[[[6-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methylamino]-2-pyridyl]amino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone::2-[[[6-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]-2-pyridinyl]amino]methylidene]-5,5-dimethylcyclohexane-1,3-dione::2-[[[6-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]pyridin-2-yl]amino]methylidene]-5,5-dimethylcyclohexane-1,3-dione::2-[[[6-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]pyridin-2-yl]amino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione::MLS000519178::SMR000129597::US11529321, Compound 34::cid_3315504

SMILES [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2cccc(-[#7]\[#6]=[#6]-3\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-3=O)n2)-[#6](=O)-[#6]1

InChI Key InChIKey=XMXWIISGBOUKNP-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50085   

LigandPNGBDBM50085(2-[[[6-[[4,4-dimethyl-2,6-bis(oxidanylidene)cycloh...)
Affinity DataIC50: 1.31E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetImportin subunit alpha-1(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50085(2-[[[6-[[4,4-dimethyl-2,6-bis(oxidanylidene)cycloh...)
Affinity DataEC50:  1.32E+5nMAssay Description:Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetMicrotubule-associated proteins 1A/1B light chain 3B(Human)
Wigen Biomedicine Technology (Shanghai)

US Patent
LigandPNGBDBM50085(2-[[[6-[[4,4-dimethyl-2,6-bis(oxidanylidene)cycloh...)
Affinity DataIC50: 5.50E+5nMAssay Description:By constructing a prokaryotic expression system, the LC3B protein was expressed and purified, and a preliminary screening and verification platform w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent