BDBM96465 (3-Cyano-4-thiophen-2-yl-5,6,7,8-tetrahydro-quinolin-2-ylsulfanyl)-phenyl-acetic acid::2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-ethanoic acid;ethanol::2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenylacetic acid;ethanol::2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetic acid;ethanol::2-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-2-phenyl-acetic acid;ethanol::MLS000777323::SMR000413768::US10548313, Formula Ia-xiii::US11375716, Formula Ia-xiii::cid_16682212

SMILES OC(=O)C(Sc1nc2CCCCc2c(-c2cccs2)c1C#N)c1ccccc1

InChI Key InChIKey=JPYKGCKNTOGHKX-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 96465   

TargetHuntingtin(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96465((3-Cyano-4-thiophen-2-yl-5,6,7,8-tetrahydro-quinol...)
Affinity DataIC50:  4.11E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAcetyl-CoA carboxylase(Corn smut fungus)
Monsanto Technology

US Patent
LigandPNGBDBM96465((3-Cyano-4-thiophen-2-yl-5,6,7,8-tetrahydro-quinol...)
Affinity DataIC50:  274nMAssay Description:In order to effectively screen out non-specific modulators of pyruvate kinase and lactate dehydrogenase (the coupled portion of the reaction), a PK/L...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAcetyl-CoA carboxylase(Zea mays)
Monsanto Technology

US Patent
LigandPNGBDBM96465((3-Cyano-4-thiophen-2-yl-5,6,7,8-tetrahydro-quinol...)
Affinity DataIC50:  274nMAssay Description:Ustilago maydis acetyl CoA carboxylase (ACCase) was cloned, expressed, and purified as described (Weatherly et al, Biochem. J., 2004) and the test co...More data for this Ligand-Target Pair
In DepthDetails US Patent