BDBM546962 US11292791, Example 235::methyl (7S)-2-benzyl-7-methyl-3-[2-[(4S)-1-oxa-6-azaspiro[3.4]octan-6-yl]ethyl]-3H,6H,7H,8H,9H-imidazo[4,5-f]quinoline-6-carboxylate and methyl (7S)-2-benzyl-7-methyl-3-[2-[(4R)-1-oxa-6-azaspiro[3.4]octan-6-yl]ethyl]-3H,6H,7H,8H,9H-imidazo[4,5-f]quinoline-6-carboxylate

SMILES COC(=O)N1[C@@H](C)CCc2c1ccc1n(CCN3CC[C@]4(CCO4)C3)c(Cc3ccccc3)nc21

InChI Key InChIKey=LOCTUPZEYKJEQP-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 546962   

TargetCREB-binding protein(Human)
Forma Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 546962BDBM546962(methyl (7S)-2-benzyl-7-methyl-3-[2-[(4S)-1-oxa-6-a...)
Affinity DataIC50: 550nMAssay Description:The assay was performed in a final volume of 6 μL in assay buffer containing 50 mM Hepes (pH 7.5, (0.5M Hepes, pH 7.5 solution; Teknova H1575)),...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2022
Entry Details
US Patent

TargetBromodomain-containing protein 4(Human)
Forma Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 546962BDBM546962(methyl (7S)-2-benzyl-7-methyl-3-[2-[(4S)-1-oxa-6-a...)
Affinity DataIC50: 5.05E+4nMAssay Description:The assay was performed in a final volume of 6 μL in assay buffer containing 50 mM Hepes (pH 7.5, (0.5M Hepes, pH 7.5 solution; Teknova H1575)),...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2022
Entry Details
US Patent