BDBM54707 2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoic acid::2-[(3E)-6-fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid::2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid::2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid::UNM-0000306136::cid_1548885

SMILES CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C\c1ccc(cc1)S(C)=O

InChI Key InChIKey=MLKXDPUZXIRXEP-UHFFFAOYSA-N

Data  6 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 14 hits for monomerid = 54707   

TargetGTPase KRas [1-37](Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetRas-related protein Rab-2A(Dog)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetRas-related protein Rab-7a(Dog)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetGTPase KRas [1-37](Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
Affinity DataEC50:  4.67E+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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
Affinity DataKi:  4.24E+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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetProstaglandin G/H synthase 1(Human)
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2012
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2012
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2012
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2012
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM54707(UNM-0000306136 | 2-[(3E)-6-fluoro-2-methyl-3-[(4-m...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2012
Entry Details Article
PubMed