BDBM72242 (2-Phenyl-1H-indol-3-ylsulfanyl)-acetic acid::2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetic acid::2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanoic acid::2-[(2-phenyl-1H-indol-3-yl)thio]acetic acid::MLS000594945::SMR000218217::cid_687308

SMILES OC(=O)CSc1c([nH]c2ccccc12)-c1ccccc1

InChI Key InChIKey=VCEILAWWSHXJIN-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 = 72242   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72242BDBM72242(US20250368634, Example 72)
Affinity DataIC50: 11.4nMAssay 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
Target InfoKEGG
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Date in BDB:
4/15/2026
Entry Details PCBioAssay