BDBM546779 US11292791, Example 52::trans-6-((S)-2-benzyl-6-(methoxycarbonyl)-7-methyl-6,7,8,9-tetrahydro-3H-imidazo[4,5-f]quinolin-3-yl)spiro[3.3]heptane-2-carboxylic Acid and cis-6-((S)-2-benzyl-6-(methoxycarbonyl)-7-methyl-6,7,8,9-tetrahydro-3H-imidazo[4,5-f]quinolin-3-yl)spiro[3.3]heptane-2-carboxylic Acid

SMILES COC(=O)N1[C@@H](C)CCc2c1ccc1n([C@H]3CC4(C[C@@H](C4)C(O)=O)C3)c(Cc3ccccc3)nc21

InChI Key InChIKey=NKBGKVAKSWBHDU-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 546779   

TargetCREB-binding protein(Human)
Forma Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 546779BDBM546779(trans-6-((S)-2-benzyl-6-(methoxycarbonyl)-7-methyl...)
Affinity DataIC50: 55nMAssay 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 546779BDBM546779(trans-6-((S)-2-benzyl-6-(methoxycarbonyl)-7-methyl...)
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