BDBM50685 1-[[(E)-(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea::1-[[(E)-(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea::1-[[(E)-(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea::1-[[(E)-(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(4-morpholinosulfonylphenyl)thiourea::MLS000759768::SMR000369920::cid_6185683

SMILES [O-][N+](=O)c1cc(Cl)c[c-](C=[NH+]NC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c1=O

InChI Key InChIKey=ZNAZAGIJYSLMFW-UHFFFAOYSA-O

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50685   

LigandPNGBDBM50685(1-[[(E)-(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-di...)
Affinity DataIC50: 3.47E+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
TargetT cell receptor alpha variable 4(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50685(1-[[(E)-(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-di...)
Affinity DataIC50: 9.41E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetAlbumin(Bovine)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50685(1-[[(E)-(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-di...)
Affinity DataIC50: 9.41E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay