BDBM115084 1-methyl-2-pyrrolecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester::1-methylpyrrole-2-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester::MLS002251955::SMR000838755::[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate::[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate::cid_4003315

SMILES NC(=O)c1ccc([C@@H](Oc2cc3c(cc2F)C(=O)CCO3)c2ccncc2)cc1

InChI Key InChIKey=OYXLNYBHYGONCV-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 = 115084   

TargetHLA-DR4 protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 115084BDBM115084((*R)-4-(((6-Fluoro-4-oxochroman-7-yl)oxy)(pyridin-...)
Affinity DataIC50: 230nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/18/2026
Entry Details
US Patent