BDBM72079 2-[2-(3-Nitro-[1,2,4]triazol-1-yl)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl ester::2-[[2-(3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester::2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester::MLS000551037::SMR000176340::cid_1749548::propan-2-yl 2-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::propan-2-yl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SMILES Nc1ccc2c(c1)SCCN2CC(=O)Nc1nnc(-c2ccccn2)[nH]1

InChI Key InChIKey=SJNDLXURAUTPGF-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 = 72079   

LigandChemical structure of BindingDB Monomer ID 72079BDBM72079(US20250367209, SN 62)
Affinity DataIC50: 440nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2026
Entry Details Article
US Patent