BDBM54680 (3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylidene)-1H-indol-2-one::(3Z)-5-bromo-3-(3-ketoindolin-2-ylidene)oxindole::(3Z)-5-bromo-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one::UNM-0000305770::cid_5287845

SMILES Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1

InChI Key InChIKey=IEQQJQHHJMQETK-UHFFFAOYSA-N

Data  2 KI  6 IC50  8 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 54680   

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
Affinity DataKi:  1.11E+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
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
Affinity DataKi:  1.51E+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
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
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
TargetCell division control protein 42 homolog(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
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
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
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
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
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
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
Affinity DataEC50:  1.22E+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
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
Affinity DataEC50:  1.61E+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
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Schering

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
Affinity DataIC50:  1.00E+3nMpH: 8.0 T: 2°CAssay Description:Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Schering

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
Affinity DataIC50:  80nMpH: 8.0 T: 2°CAssay Description:Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.More data for this Ligand-Target Pair
TargetInsulin receptor(Homo sapiens (Human))
Schering

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
Affinity DataIC50: >1.00E+4nMpH: 7.5 T: 2°CAssay Description:Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Schering

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
Affinity DataIC50: >1.00E+4nMpH: 7.0 T: 2°CAssay Description:Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKit ligand(Homo sapiens (Human))
Schering

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
Affinity DataIC50: >1.00E+4nMpH: 7.0 T: 2°CAssay Description:Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Schering

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
Affinity DataIC50: >1.00E+4nMpH: 7.0 T: 2°CAssay Description:Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGTPase KRas [1-37](Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
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-2A(Canis lupus familiaris)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)
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