BDBM76790 5-nitro-2-thiophenecarboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester::5-nitrothiophene-2-carboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester::MLS002245146::SMR001308808::[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate::[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate::cid_3977768

SMILES CC1CCCC(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)C1C

InChI Key InChIKey=WBFVHGCBIJYBMI-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  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 5 hits for monomerid = 76790   

TargetSentrin-specific protease 8(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM76790(SMR001308808 | MLS002245146 | [2-[(2,3-dimethylcyc...)
Affinity DataIC50: 5.63E+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:
8/1/2011
Entry Details
PCBioAssay
TargetSentrin-specific protease 6(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM76790(SMR001308808 | MLS002245146 | [2-[(2,3-dimethylcyc...)
Affinity DataIC50: 6.50E+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:
8/1/2011
Entry Details
PCBioAssay
TargetCaspase-3(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM76790(SMR001308808 | MLS002245146 | [2-[(2,3-dimethylcyc...)
Affinity DataIC50: 1.37E+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:
8/1/2011
Entry Details
PCBioAssay
TargetMitochondrial peptide methionine sulfoxide reductase(Bovine)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM76790(SMR001308808 | MLS002245146 | [2-[(2,3-dimethylcyc...)
Affinity DataEC50:  2.29E+4nMAssay 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
TargetTyrosyl-DNA phosphodiesterase 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM76790(SMR001308808 | MLS002245146 | [2-[(2,3-dimethylcyc...)
Affinity DataIC50: 8.55E+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:
8/8/2014
Entry Details
PCBioAssay