BDBM50232 2-[(4-chlorophenyl)-[5-keto-3-methyl-1-(5-phenylthiazol-2-yl)-3-pyrazolin-4-yl]methyl]malononitrile::2-[(4-chlorophenyl)-[5-methyl-3-oxidanylidene-2-(5-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methyl]propanedinitrile::2-[(4-chlorophenyl)-[5-methyl-3-oxo-2-(5-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methyl]propanedinitrile::2-[(4-chlorophenyl)-[5-methyl-3-oxo-2-(5-phenyl-2-thiazolyl)-1H-pyrazol-4-yl]methyl]propanedinitrile::2-{(4-Chloro-phenyl)-[5-hydroxy-3-methyl-1-(5-phenyl-thiazol-2-yl)-1H-pyrazol-4-yl]-methyl}-malononitrile::MLS000555077::SMR000171676::cid_3117076

SMILES Cc1[nH]n(-c2ncc(s2)-c2ccccc2)c(=O)c1C(C(C#N)C#N)c1ccc(Cl)cc1

InChI Key InChIKey=BGAVJZLWCJRXEB-UHFFFAOYSA-N

Data  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50232   

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

Curated by PubChem BioAssay
LigandPNGBDBM50232(cid_3117076 | 2-[(4-chlorophenyl)-[5-methyl-3-oxid...)
Affinity DataIC50: 7.91E+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
LigandPNGBDBM50232(cid_3117076 | 2-[(4-chlorophenyl)-[5-methyl-3-oxid...)
Affinity DataIC50: 8.69E+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
TargetSUMO-activating enzyme subunit 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50232(cid_3117076 | 2-[(4-chlorophenyl)-[5-methyl-3-oxid...)
Affinity DataIC50: 2.88E+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