BDBM54546 1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-butanone::1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-one::1-[4-(2,5-dimethylphenyl)piperazino]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-one::KUC103353N::UNM-0000306067::cid_25241703

SMILES COc1ccc(cc1)-c1noc(CCCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1

InChI Key InChIKey=DPDKVEXRHDIOOW-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 = 54546   

LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
Affinity DataEC50:  8.22E+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
TargetGTPase KRas [1-37](Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
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
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
Affinity DataEC50:  3.79E+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
TargetRas-related protein Rab-7a(Dog)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
Affinity DataEC50:  1.44E+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
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
Affinity DataEC50:  1.62E+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
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
Affinity DataEC50:  6.21E+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
TargetGTPase KRas [1-37](Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
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
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
Affinity DataEC50:  5.16E+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:
6/9/2011
Entry Details
PCBioAssay
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
Affinity DataKi:  350nMAssay 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
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
Affinity DataKi:  750nMAssay 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
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
Affinity DataKi:  800nMAssay 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
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
Affinity DataKi:  940nMAssay 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
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
Affinity DataKi:  1.03E+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
LigandPNGBDBM54546(KUC103353N | cid_25241703 | UNM-0000306067 | 1-[4-...)
Affinity DataKi:  1.31E+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