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BDBM54555 1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-propanone::1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one::1-[4-(2,5-dimethylphenyl)piperazino]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one::KUC103366N::UNM-0000306076::cid_42596904

SMILES: Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1

InChI Key: InChIKey=ROEYKAUGZINYKY-UHFFFAOYSA-N

Data: 4 KI  8 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 54555   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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140n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2JS9NV0
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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230n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PC30TH
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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280n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20000HB
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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510n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29885F3
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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n/an/an/an/a 1.84E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23B5XM4
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25H7DQC
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NK3CFW
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C53J83
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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n/an/an/an/a 1.48E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PK0DK8
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2JQ0ZF7
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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n/an/an/an/a 2.55E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T43RHD
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54555
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(3-f...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O2/c1-16-6-7-17(2)20(14-16)27-10-12-28(13-11-27)22(29)9-8-21-25-23(26-30-21)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
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n/an/an/an/a 7.85E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay 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...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2F18X40
More data for this
Ligand-Target Pair