BDBM73102 3,4-dimethoxy-N-(2-pyridin-3-ylpiperidin-1-yl)carbothioyl-benzamide::3,4-dimethoxy-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide::3,4-dimethoxy-N-[2-(3-pyridyl)piperidine-1-carbothioyl]benzamide::3,4-dimethoxy-N-[[2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]benzamide::MLS001146619::SMR000646650::cid_4221681

SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)C(=O)O)cc2)c(OC)c1

InChI Key InChIKey=NBSGYTDQQVCASP-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 = 73102   

TargetIntegrin alpha-4/beta-7(Human)
Washington University

US Patent
LigandChemical structure of BindingDB Monomer ID 73102BDBM73102(US20250381168, Example 1)
Affinity DataIC50: 5.60nMAssay 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:
4/29/2026
Entry Details
US Patent