BDBM72251 MLS000418851::SMR000236829::[9-(4-ethoxyphenyl)sulfonyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-phenyl-methanone::[9-(4-ethoxyphenyl)sulfonyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-phenylmethanone::cid_2151449::phenyl-(9-p-phenetylsulfonyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methanone

SMILES C[C@@H](NC(=O)c1cc(N2CCOCC2)c(Cl)cc1N[C@@H]1CN2CCC1CC2)c1cccc(C(F)F)c1F

InChI Key InChIKey=LOZSLHBEOYRVMZ-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 = 72251   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72251BDBM72251(US20250368634, Example 81)
Affinity DataIC50: 12.6nMAssay 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