BDBM82789 3-[2-({2,4-dioxo-3-[2-oxo-2-(3-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-1H-pyrrol-1-yl]benzoic acid::3-[2-[(Z)-[2,4-diketo-3-[2-keto-2-(m-toluidino)ethyl]thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid::3-[2-[(Z)-[3-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid::3-[2-[(Z)-[3-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-1-pyrrolyl]benzoic acid::3-[2-[(Z)-[3-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid::MLS000704351::SMR000231573::cid_11839276

SMILES Cc1cccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c1

InChI Key InChIKey=HHOPVSZQHKCIQE-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  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 2 hits for monomerid = 82789   

LigandPNGBDBM82789(MLS000704351 | 3-[2-[(Z)-[3-[2-(3-methylanilino)-2...)
Affinity DataIC50: 6.83E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetNuclear factor erythroid 2-related factor 2(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM82789(MLS000704351 | 3-[2-[(Z)-[3-[2-(3-methylanilino)-2...)
Affinity DataKd:  6.82E+4nMAssay Description:Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed