BDBM43221 2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid::2-(benzoylthiocarbamoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid::2-[[benzamido(sulfanylidene)methyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid::2-{[(benzoylamino)carbonothioyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid::5,5-dimethyl-2-(phenylcarbonylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid::MLS000673908::SMR000297947::cid_1067700

SMILES CC1(C)Cc2c(CO1)sc(NC(=S)NC(=O)c1ccccc1)c2C(O)=O

InChI Key InChIKey=ATSWBWHRHAQVFM-UHFFFAOYSA-N

Data  2 IC50  8 EC50

  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 10 hits for monomerid = 43221   

TargetCell division control protein 42 homolog(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM43221(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Affinity DataEC50:  92.0nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCell division control protein 42 homolog(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM43221(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Affinity DataEC50:  92nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGTPase KRas [1-37](Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM43221(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Affinity DataEC50:  99.3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGTPase KRas [1-37](Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM43221(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Affinity DataEC50:  99.3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPhospholipase A2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM43221(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Affinity DataIC50:  1.31E+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
TargetRas-related protein Rab-2A(Canis lupus familiaris)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM43221(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Affinity DataEC50:  171nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
LigandPNGBDBM43221(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Affinity DataEC50:  80.6nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
LigandPNGBDBM43221(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Affinity DataEC50:  80.6nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCysteine protease ATG4B(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM43221(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Affinity DataIC50:  2.11E+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
TargetRas-related protein Rab-2A(Canis lupus familiaris)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM43221(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Affinity DataEC50:  171nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay