BDBM54979 2-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester::2-[[2-[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester::MLS000335296::SMR000250054::cid_3621945::methyl 2-[2-[4-(2-cyanoethanoylamino)phenyl]carbonyloxyethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate::methyl 2-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

SMILES COC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)sc2CCCCCc12

InChI Key InChIKey=QOKXCAGORAZEFG-UHFFFAOYSA-N

Data  7 IC50

  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 7 hits for monomerid = 54979   

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

Curated by PubChem BioAssay
LigandPNGBDBM54979(SMR000250054 | methyl 2-[[2-[4-[(2-cyanoacetyl)ami...)
Affinity DataIC50: 6.14E+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 DepthDetails
PCBioAssay
TargetCore protein(Hepacivirus C)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54979(SMR000250054 | methyl 2-[[2-[4-[(2-cyanoacetyl)ami...)
Affinity DataIC50: 4.98E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSUMO-activating enzyme subunit 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54979(SMR000250054 | methyl 2-[[2-[4-[(2-cyanoacetyl)ami...)
Affinity DataIC50: 7.43E+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 DepthDetails
PCBioAssay
LigandPNGBDBM54979(SMR000250054 | methyl 2-[[2-[4-[(2-cyanoacetyl)ami...)
Affinity DataIC50: 1.84E+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 DepthDetails
PCBioAssay
TargetProthrombin(Bovine)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54979(SMR000250054 | methyl 2-[[2-[4-[(2-cyanoacetyl)ami...)
Affinity DataIC50: 8.59E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetDNA (cytosine-5)-methyltransferase 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54979(SMR000250054 | methyl 2-[[2-[4-[(2-cyanoacetyl)ami...)
Affinity DataIC50: 3.35E+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 DepthDetails
PCBioAssay
Target26S proteasome non-ATPase regulatory subunit 14(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54979(SMR000250054 | methyl 2-[[2-[4-[(2-cyanoacetyl)ami...)
Affinity DataIC50: 1.38E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay