BDBM54691 2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)pyrrole-3-carbonitrile::2-amino-5-benzoyl-4-(3,4,5-trimethoxyphenyl)-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-3-pyrrolecarbonitrile::2-amino-5-benzoyl-4-(3,4,5-trimethoxyphenyl)-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrole-3-carbonitrile::2-azanyl-5-(phenylcarbonyl)-4-(3,4,5-trimethoxyphenyl)-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-pyrrole-3-carbonitrile::UNM-0000305781::cid_25220932

SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C

InChI Key InChIKey=JMPFCENOODBBLG-UHFFFAOYSA-N

Data  3 KI  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 11 hits for monomerid = 54691   

TargetRas-related protein Rab-7a(Canis lupus familiaris)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54691(2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...)
Affinity DataKi:  2.17E+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
LigandPNGBDBM54691(2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...)
Affinity DataKi:  6.05E+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
LigandPNGBDBM54691(2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...)
Affinity DataKi:  7.04E+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
TargetCell division control protein 42 homolog(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54691(2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...)
Affinity DataEC50:  3.00E+4nMAssay 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
TargetRas-related protein Rab-7a(Canis lupus familiaris)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54691(2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...)
Affinity DataEC50:  3.32E+4nMAssay 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
LigandPNGBDBM54691(2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...)
Affinity DataEC50:  3.00E+4nMAssay 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
LigandPNGBDBM54691(2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...)
Affinity DataEC50:  3.00E+4nMAssay 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
LigandPNGBDBM54691(2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...)
Affinity DataEC50:  6.65E+4nMAssay 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
TargetRas-related protein Rab-2A(Canis lupus familiaris)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54691(2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...)
Affinity DataEC50:  3.00E+4nMAssay 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
LigandPNGBDBM54691(2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...)
Affinity DataEC50:  7.53E+4nMAssay 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
LigandPNGBDBM54691(2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...)
Affinity DataEC50:  3.00E+4nMAssay 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