BDBM72231 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-butyl-thieno[3,2-d]pyrimidin-4-one::3-butyl-2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one::3-butyl-2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]thieno[3,2-d]pyrimidin-4-one::3-butyl-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-4-thieno[3,2-d]pyrimidinone::3-butyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio}thieno[3,2-d]pyrimidin-4(3H)-one::MLS000586534::SMR000207913::cid_3579357

SMILES C[C@@H](NC(=O)c1cc(-c2ccc(=O)n(C)c2)c(F)cc1NC1CCN(C)CC1)C1=C(F)C(C(F)F)CC=C1

InChI Key InChIKey=VFOREMAZXBGDOF-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72231   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72231BDBM72231((R)-N-(1-(3- | US20250368634, Example 62)
Affinity DataIC50: 10.5nMAssay 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