BDBM546790 (1S,3R)-3-((S)-6-(methoxycarbonyl)-7-methyl-2-phenethyl-6,7,8,9-tetrahydro-3H-imidazo[4,5-f]quinolin-3-yl)cyclohexane-1-carboxylic Acid and (1R,3S)-3-((S)-6-(methoxycarbonyl)-7-methyl-2-phenethyl-6,7,8,9-tetrahydro-3H-imidazo[4,5-f]quinolin-3-yl)cyclohexane-1-carboxylic Acid::US11292791, Example 63

SMILES COC(=O)N1[C@@H](C)CCc2c1ccc1n([C@H]3CCC[C@H](C3)C(O)=O)c(CCc3ccccc3)nc21

InChI Key InChIKey=LRBBMCOGXASSSU-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 = 546790   

TargetCREB-binding protein(Human)
Forma Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 546790BDBM546790((1S,3R)-3-((S)-6-(methoxycarbonyl)-7-methyl-2-phen...)
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 546790BDBM546790((1S,3R)-3-((S)-6-(methoxycarbonyl)-7-methyl-2-phen...)
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