BDBM77598 5-nitro-2-furancarboxylic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester::5-nitrofuran-2-carboxylic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester::MLS002156772::SMR001239274::[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate::[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate::cid_2473636

SMILES COCCN1CCC(C(=O)N2CCC3C[C@H]2c2cc(-c4ccc(C(F)(F)F)cc4)ccc23)CC1

InChI Key InChIKey=MHGRGRWEYSCPAO-UHFFFAOYSA-N

Data  1 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 = 77598   

TargetSigma intracellular receptor 2(Human)
University of Texas System

US Patent
LigandChemical structure of BindingDB Monomer ID 77598BDBM77598(US20250387403, Example Table1.13)
Affinity DataKi:  10.3nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent