BDBM72142 1-(2-chloro-6-nitrophenyl)-4-{[(4-chlorophenyl)thio]acetyl}piperazine::1-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanyl-ethanone::1-[4-(2-chloro-6-nitro-phenyl)piperazino]-2-[(4-chlorophenyl)thio]ethanone::1-[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-2-[(4-chlorophenyl)thio]ethanone::1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylethanone::MLS000580621::SMR000199510::cid_2951811

SMILES C[C@@H](CNC(=O)c1cc(N2CCOCC2)c(F)cc1NC1CCN(C)CC1)c1cccc(C(F)F)c1F

InChI Key InChIKey=YPSHUGXUGWKYQI-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 = 72142   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72142BDBM72142(US20250368634, Example 1)
Affinity DataIC50: 20.2nMAssay 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