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Compile Data Set for Download or QSAR

Found 8 hits of ec50 for monomerid = 54557   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM54557
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-m...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C
Show InChI InChI=1S/C24H28N4O2/c1-17-8-9-19(3)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-30-22)20-7-5-4-6-18(20)2/h4-9,16H,10-15H2,1-3H3
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n/an/an/an/a 1.54E+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)
BDBM54557
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-m...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C
Show InChI InChI=1S/C24H28N4O2/c1-17-8-9-19(3)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-30-22)20-7-5-4-6-18(20)2/h4-9,16H,10-15H2,1-3H3
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n/an/an/an/a 1.67E+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/Q25H7DQC
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54557
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-m...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C
Show InChI InChI=1S/C24H28N4O2/c1-17-8-9-19(3)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-30-22)20-7-5-4-6-18(20)2/h4-9,16H,10-15H2,1-3H3
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n/an/an/an/a 1.73E+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-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54557
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-m...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C
Show InChI InChI=1S/C24H28N4O2/c1-17-8-9-19(3)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-30-22)20-7-5-4-6-18(20)2/h4-9,16H,10-15H2,1-3H3
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n/an/an/an/a 2.01E+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
Ras-related protein Rab-7a


(Canis lupus familiaris)
BDBM54557
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-m...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C
Show InChI InChI=1S/C24H28N4O2/c1-17-8-9-19(3)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-30-22)20-7-5-4-6-18(20)2/h4-9,16H,10-15H2,1-3H3
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n/an/an/an/a 5.46E+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
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM54557
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-m...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C
Show InChI InChI=1S/C24H28N4O2/c1-17-8-9-19(3)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-30-22)20-7-5-4-6-18(20)2/h4-9,16H,10-15H2,1-3H3
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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
GTPase KRas [1-37]


(Homo sapiens (Human))
BDBM54557
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-m...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C
Show InChI InChI=1S/C24H28N4O2/c1-17-8-9-19(3)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-30-22)20-7-5-4-6-18(20)2/h4-9,16H,10-15H2,1-3H3
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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
GTPase KRas [1-37]


(Homo sapiens (Human))
BDBM54557
PNG
(1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-m...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C
Show InChI InChI=1S/C24H28N4O2/c1-17-8-9-19(3)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-30-22)20-7-5-4-6-18(20)2/h4-9,16H,10-15H2,1-3H3
UniProtKB/TrEMBL

GoogleScholar
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PC sid
UniChem

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PCBioAssay
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