BDBM50253 (NZ)-N-[4-keto-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthylidene]-2,4,5-trimethyl-benzenesulfonamide::2,4,5-trimethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio)naphthalen-1(4H)-ylidene]benzenesulfonamide::2,4,5-trimethyl-N-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide::2,4,5-trimethyl-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide::2,4,5-trimethyl-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthalenylidene]benzenesulfonamide::MLS000585904::N-[4-keto-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthylidene]-2,4,5-trimethyl-benzenesulfonamide::SMR000207685::cid_3318213

SMILES Cc1cc(C)c(cc1C)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12

InChI Key InChIKey=VQVNQUVGIDYCOK-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50253   

LigandPNGBDBM50253(cid_3318213 | MLS000585904 | 2,4,5-trimethyl-N-[4-...)
Affinity DataIC50: 3.07E+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
TargetSerine/threonine-protein phosphatase PP1-alpha catalytic subunit(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50253(cid_3318213 | MLS000585904 | 2,4,5-trimethyl-N-[4-...)
Affinity DataIC50: 1.86E+4nMAssay 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:
7/10/2011
Entry Details
PCBioAssay
TargetSerine/threonine-protein phosphatase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50253(cid_3318213 | MLS000585904 | 2,4,5-trimethyl-N-[4-...)
Affinity DataIC50: 4.19E+3nMAssay 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:
7/10/2011
Entry Details
PCBioAssay
TargetMitochondrial peptide methionine sulfoxide reductase(Bovine)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50253(cid_3318213 | MLS000585904 | 2,4,5-trimethyl-N-[4-...)
Affinity DataEC50: >1.04E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay