null

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

InChI Key InChIKey=IEQQJQHHJMQETK-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  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 16 hits for monomerid = 54680   

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q20V8B7JPCBioAssay
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2RB7317PCBioAssay
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q26H4FT9PCBioAssay
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2Z31X2SPCBioAssay
TargetRas-related protein Rab-7a(Canis lupus familiaris)
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2X34VWJPCBioAssay
TargetGTPase KRas [1-37](Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2D21W1MPCBioAssay
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q24M92ZVPCBioAssay
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37TR5PCBioAssay
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Schering AG

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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 AG

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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 AG

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2B56H8HPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Schering AG

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2B56H8HPubMed
TargetKit ligand(Homo sapiens (Human))
Schering AG

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2B56H8HPubMed
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Schering AG

LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2B56H8HPubMed
TargetGTPase KRas [1-37](Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q23N21VGPCBioAssay
TargetRas-related protein Rab-2A(Canis lupus familiaris)
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM54680((3Z)-5-bromanyl-3-(3-oxidanylidene-1H-indol-2-ylid...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2V40SNSPCBioAssay