BDBM61229 2-({[3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}carbonyl)benzoic acid::2-[(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoic acid::2-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoic acid::2-[[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]benzoic acid::MLS000850325::SMR000456343::cid_2813320

SMILES CCC(C)(C)C1CCc2c(C1)sc(NC(=O)c1ccccc1C(O)=O)c2C#N

InChI Key InChIKey=RRUGLXREDULFCQ-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 61229   

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

Curated by PubChem BioAssay
LigandPNGBDBM61229(2-({[3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-...)
Affinity DataIC50:  1.53E+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 DepthDetails PCBioAssay
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61229(2-({[3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-...)
Affinity DataIC50:  7.30E+3nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61229(2-({[3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-...)
Affinity DataIC50:  6.10E+3nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSUMO-activating enzyme subunit 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61229(2-({[3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydro-1-...)
Affinity DataIC50:  2.14E+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 DepthDetails PCBioAssay