BDBM72213 3-(2-chlorophenyl)-3-(9H-xanthene-9-carbonylamino)propionic acid ethyl ester::3-(2-chlorophenyl)-3-[[oxo(9H-xanthen-9-yl)methyl]amino]propanoic acid ethyl ester::MLS000586184::SMR000204547::cid_5207632::ethyl 3-(2-chlorophenyl)-3-(9H-xanthen-9-ylcarbonylamino)propanoate::ethyl 3-(2-chlorophenyl)-3-(9H-xanthene-9-carbonylamino)propanoate::ethyl 3-(2-chlorophenyl)-3-[(9H-xanthen-9-ylcarbonyl)amino]propanoate

SMILES CCOC(=O)CC(NC(=O)C1c2ccccc2Oc2ccccc12)c1ccccc1Cl

InChI Key InChIKey=RTIXXYXLOMWVMS-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 = 72213   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72213BDBM72213(US20250368634, Example 46)
Affinity DataIC50: 74.6nMAssay 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
Target InfoKEGG
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Date in BDB:
4/15/2026
Entry Details US Patent