BDBM61223 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea::1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea::1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea::1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea::MLS001044499::SMR000415003::cid_5708135

SMILES Cc1c(NC(=S)N[NH+]=C[c-]2cc(ccc2=O)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C

InChI Key InChIKey=HYKRNMNELIEBRR-UHFFFAOYSA-O

Data  4 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 4 hits for monomerid = 61223   

TargetSUMO-conjugating enzyme UBC9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61223(SMR000415003 | MLS001044499 | 1-(1,5-dimethyl-3-ox...)
Affinity DataIC50: 1.64E+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:
6/5/2011
Entry Details
PCBioAssay
TargetSUMO-activating enzyme subunit 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61223(SMR000415003 | MLS001044499 | 1-(1,5-dimethyl-3-ox...)
Affinity DataIC50: 1.14E+4nMAssay 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:
7/9/2011
Entry Details
PCBioAssay
TargetAlbumin(Bovine)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61223(SMR000415003 | MLS001044499 | 1-(1,5-dimethyl-3-ox...)
Affinity DataIC50: 9.41E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetT cell receptor alpha variable 4(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61223(SMR000415003 | MLS001044499 | 1-(1,5-dimethyl-3-ox...)
Affinity DataIC50: 9.41E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay