BDBM75826 3-chloranyl-6-methoxy-N-[(3-oxidanylidenecyclohexylidene)amino]-1-benzothiophene-2-carboxamide::3-chloro-6-methoxy-N-[(3-oxocyclohexylidene)amino]-1-benzothiophene-2-carboxamide::3-chloro-N-[(3-ketocyclohexylidene)amino]-6-methoxy-benzothiophene-2-carboxamide::MLS001006675::SMR000349637::cid_4355075

SMILES COc1cc(NC(=O)c2cc3c(nc2N2CCC(F)(F)C2)COC3)cc2c(C)cc(=O)[nH]c12

InChI Key InChIKey=VGURMKWCCZXWDC-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 75826   

TargetBromodomain-containing protein 4 [58-164](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75826BDBM75826(2-(3,3-difluoropyrrolidin-1-yl)-N-(8-methoxy-4-met...)
Affinity DataKd:  21nMAssay Description:Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2026
Entry Details
US Patent

TargetBromodomain-containing protein 4 [353-454](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75826BDBM75826(2-(3,3-difluoropyrrolidin-1-yl)-N-(8-methoxy-4-met...)
Affinity DataKd:  900nMAssay Description:Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2026
Entry Details
US Patent