BDBM114950 3-(4-benzylpiperazin-1-yl)sulfonyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide::3-(4-benzylpiperazino)sulfonyl-N-[2-(3-fluoroanilino)-2-keto-ethyl]-N-methyl-benzamide::MLS002180376::N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide::N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide::SMR001269406::cid_40197186

SMILES Cc1cc(C(=O)N[C@H]2CC[C@H](OC(F)F)CC2)nc(-n2ccnc2)n1

InChI Key InChIKey=KABGMURCGUBZDV-UHFFFAOYSA-N

Data  2 IC50

  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 = 114950   

TargetADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114950BDBM114950(US12514858, Example 42)
Affinity DataIC50: 4.80nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/18/2026
Entry Details
US Patent