BDBM72185 2-(3,4-Dimethoxy-phenyl)-2-[1-(4-methoxy-phenyl)-2-nitro-ethyl]-indan-1,3-dione::2-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-2-nitro-ethyl]indane-1,3-quinone::2-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-2-nitro-ethyl]indene-1,3-dione::2-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-2-nitroethyl]indene-1,3-dione::MLS000566528::SMR000176118::cid_2865434

SMILES CC(=O)N1CC2(C1)CN(c1cc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3C)c(NC3CCN(C)CC3)cc1F)C2

InChI Key InChIKey=XUKUGAAXOXZCIB-UHFFFAOYSA-N

Data  1 EC50

  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 1 hit for monomerid = 72185   

TargetGTPase KRas [1-169,G12C](Human)
SchroDinger

US Patent
LigandChemical structure of BindingDB Monomer ID 72185BDBM72185(US20250368634, Example 20)
Affinity DataIC50: 26.4nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2026
Entry Details
US Patent