BDBM40721 2-[(3Z)-2-oxidanylidene-3-[4-oxidanylidene-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-ylidene]indol-1-yl]ethanoic acid::2-[(3Z)-2-oxo-3-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-ylidene]indol-1-yl]acetic acid::2-[(3Z)-2-oxo-3-[4-oxo-3-prop-2-enyl-2-(2-thiazolylimino)-5-thiazolidinylidene]-1-indolyl]acetic acid::2-[(3Z)-3-(3-allyl-4-keto-2-thiazol-2-ylimino-thiazolidin-5-ylidene)-2-keto-indolin-1-yl]acetic acid::MLS000551752::SMR000145677::cid_1940749::{3-[3-Allyl-4-oxo-2-[(E)-thiazol-2-ylimino]-thiazolidin-(5Z)-ylidene]-2-oxo-2,3-dihydro-indol-1-yl}-acetic acid

SMILES OC(=O)CN1C(=O)\C(=C2/SC(=Nc3nccs3)N(CC=C)C2=O)c2ccccc12

InChI Key InChIKey=MUXUEEBRPXRRHT-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 40721   

LigandPNGBDBM40721(cid_1940749 | 2-[(3Z)-2-oxidanylidene-3-[4-oxidany...)
Affinity DataIC50: 2.78E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetNuclear receptor subfamily 4 group A member 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40721(cid_1940749 | 2-[(3Z)-2-oxidanylidene-3-[4-oxidany...)
Affinity DataIC50: 3.03E+3nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay