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38 similar compounds to monomer 91550

Compile data set for download or QSAR
Wt: 377.2
BDBM54589
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Wt: 328.4
BDBM54591
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Wt: 312.4
BDBM54597
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Wt: 332.8
BDBM54598
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Wt: 332.8
BDBM54599
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Wt: 342.3
BDBM54602
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Wt: 341.4
BDBM54607
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Wt: 420.3
BDBM54608
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Wt: 375.8
BDBM54609
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Wt: 328.4
BDBM54616
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Wt: 355.4
BDBM54617
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Wt: 359.4
BDBM54627
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Wt: 332.3
BDBM64214
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Wt: 328.4
BDBM91541
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Wt: 332.8
BDBM91542
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Displayed 1 to 15 (of 38 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 129 hits for monomerid = 54589,54591,54597,54598,54599,54602,54607,54608,54609,54616,54617,54627,64214,91541,91542   
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 protein


(Homo sapiens (Human))
BDBM54607
PNG
(4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimet...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-25(2)20-15-13-19(14-16-20)23-17-22(18-9-5-3-6-10-18)24-26(23)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3
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10n/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/Q2FX77VQ
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54607
PNG
(4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimet...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-25(2)20-15-13-19(14-16-20)23-17-22(18-9-5-3-6-10-18)24-26(23)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3
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10n/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/Q2B856J1
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54591
PNG
(3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazo...)
Show SMILES COc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)23-24(21)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
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90n/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/Q2B856J1
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54599
PNG
(1-(4-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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430n/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/Q2GT5KM7
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54616
PNG
(1-(2-methoxyphenyl)-3,5-diphenyl-2-pyrazoline | 2-...)
Show SMILES COc1ccccc1N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-20(22)24-21(18-12-6-3-7-13-18)16-19(23-24)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3
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660n/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/Q2GT5KM7
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54589
PNG
(1-(4-bromophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES Brc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17BrN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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890n/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/Q25D8Q8M
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54609
PNG
(4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3/c1-26(2)20-14-10-18(11-15-20)23-16-22(17-8-12-19(24)13-9-17)25-27(23)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3
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4.67E+3n/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/Q2B856J1
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54602
PNG
(4-(3,5-diphenyl-2-pyrazolin-1-yl)benzoic acid | 4-...)
Show SMILES OC(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c25-22(26)18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H,25,26)
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5.11E+3n/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/Q25D8Q8M
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54589
PNG
(1-(4-bromophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES Brc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17BrN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54591
PNG
(3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazo...)
Show SMILES COc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)23-24(21)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54597
PNG
(1-(m-tolyl)-3,5-diphenyl-2-pyrazoline | 2-(3-methy...)
Show SMILES Cc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2/c1-17-9-8-14-20(15-17)24-22(19-12-6-3-7-13-19)16-21(23-24)18-10-4-2-5-11-18/h2-15,22H,16H2,1H3
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54598
PNG
(1-(3-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-12-7-13-19(14-18)24-21(17-10-5-2-6-11-17)15-20(23-24)16-8-3-1-4-9-16/h1-14,21H,15H2
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54599
PNG
(1-(4-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54602
PNG
(4-(3,5-diphenyl-2-pyrazolin-1-yl)benzoic acid | 4-...)
Show SMILES OC(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c25-22(26)18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H,25,26)
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54607
PNG
(4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimet...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-25(2)20-15-13-19(14-16-20)23-17-22(18-9-5-3-6-10-18)24-26(23)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54608
PNG
(4-[5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-3...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrN3/c1-26(2)20-14-10-18(11-15-20)23-16-22(17-8-12-19(24)13-9-17)25-27(23)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54609
PNG
(4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3/c1-26(2)20-14-10-18(11-15-20)23-16-22(17-8-12-19(24)13-9-17)25-27(23)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54616
PNG
(1-(2-methoxyphenyl)-3,5-diphenyl-2-pyrazoline | 2-...)
Show SMILES COc1ccccc1N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-20(22)24-21(18-12-6-3-7-13-18)16-19(23-24)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54617
PNG
(N,N-dimethyl-4-[2-(2-methylphenyl)-5-phenyl-3,4-di...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1C)c1ccccc1
Show InChI InChI=1S/C24H25N3/c1-18-9-7-8-12-23(18)27-24(20-13-15-21(16-14-20)26(2)3)17-22(25-27)19-10-5-4-6-11-19/h4-16,24H,17H2,1-3H3
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54627
PNG
(4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H22FN3/c1-26(2)20-14-10-18(11-15-20)23-16-22(17-8-12-19(24)13-9-17)25-27(23)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3
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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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54589
PNG
(1-(4-bromophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES Brc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17BrN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54591
PNG
(3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazo...)
Show SMILES COc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)23-24(21)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
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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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54597
PNG
(1-(m-tolyl)-3,5-diphenyl-2-pyrazoline | 2-(3-methy...)
Show SMILES Cc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2/c1-17-9-8-14-20(15-17)24-22(19-12-6-3-7-13-19)16-21(23-24)18-10-4-2-5-11-18/h2-15,22H,16H2,1H3
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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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54598
PNG
(1-(3-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-12-7-13-19(14-18)24-21(17-10-5-2-6-11-17)15-20(23-24)16-8-3-1-4-9-16/h1-14,21H,15H2
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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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54599
PNG
(1-(4-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54602
PNG
(4-(3,5-diphenyl-2-pyrazolin-1-yl)benzoic acid | 4-...)
Show SMILES OC(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c25-22(26)18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H,25,26)
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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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54607
PNG
(4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimet...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-25(2)20-15-13-19(14-16-20)23-17-22(18-9-5-3-6-10-18)24-26(23)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3
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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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54608
PNG
(4-[5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-3...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrN3/c1-26(2)20-14-10-18(11-15-20)23-16-22(17-8-12-19(24)13-9-17)25-27(23)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3
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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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54609
PNG
(4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3/c1-26(2)20-14-10-18(11-15-20)23-16-22(17-8-12-19(24)13-9-17)25-27(23)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3
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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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54616
PNG
(1-(2-methoxyphenyl)-3,5-diphenyl-2-pyrazoline | 2-...)
Show SMILES COc1ccccc1N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-20(22)24-21(18-12-6-3-7-13-18)16-19(23-24)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3
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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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54617
PNG
(N,N-dimethyl-4-[2-(2-methylphenyl)-5-phenyl-3,4-di...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1C)c1ccccc1
Show InChI InChI=1S/C24H25N3/c1-18-9-7-8-12-23(18)27-24(20-13-15-21(16-14-20)26(2)3)17-22(25-27)19-10-5-4-6-11-19/h4-16,24H,17H2,1-3H3
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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/Q2KK9971
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54627
PNG
(4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H22FN3/c1-26(2)20-14-10-18(11-15-20)23-16-22(17-8-12-19(24)13-9-17)25-27(23)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3
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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/Q2KK9971
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54589
PNG
(1-(4-bromophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES Brc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17BrN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54591
PNG
(3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazo...)
Show SMILES COc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)23-24(21)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
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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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54597
PNG
(1-(m-tolyl)-3,5-diphenyl-2-pyrazoline | 2-(3-methy...)
Show SMILES Cc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2/c1-17-9-8-14-20(15-17)24-22(19-12-6-3-7-13-19)16-21(23-24)18-10-4-2-5-11-18/h2-15,22H,16H2,1H3
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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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54598
PNG
(1-(3-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-12-7-13-19(14-18)24-21(17-10-5-2-6-11-17)15-20(23-24)16-8-3-1-4-9-16/h1-14,21H,15H2
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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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54599
PNG
(1-(4-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54602
PNG
(4-(3,5-diphenyl-2-pyrazolin-1-yl)benzoic acid | 4-...)
Show SMILES OC(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c25-22(26)18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H,25,26)
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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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54607
PNG
(4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimet...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-25(2)20-15-13-19(14-16-20)23-17-22(18-9-5-3-6-10-18)24-26(23)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3
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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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54608
PNG
(4-[5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-3...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrN3/c1-26(2)20-14-10-18(11-15-20)23-16-22(17-8-12-19(24)13-9-17)25-27(23)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3
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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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54609
PNG
(4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3/c1-26(2)20-14-10-18(11-15-20)23-16-22(17-8-12-19(24)13-9-17)25-27(23)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3
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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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54616
PNG
(1-(2-methoxyphenyl)-3,5-diphenyl-2-pyrazoline | 2-...)
Show SMILES COc1ccccc1N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-20(22)24-21(18-12-6-3-7-13-18)16-19(23-24)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3
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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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54617
PNG
(N,N-dimethyl-4-[2-(2-methylphenyl)-5-phenyl-3,4-di...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1C)c1ccccc1
Show InChI InChI=1S/C24H25N3/c1-18-9-7-8-12-23(18)27-24(20-13-15-21(16-14-20)26(2)3)17-22(25-27)19-10-5-4-6-11-19/h4-16,24H,17H2,1-3H3
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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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54627
PNG
(4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H22FN3/c1-26(2)20-14-10-18(11-15-20)23-16-22(17-8-12-19(24)13-9-17)25-27(23)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3
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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/Q2B56H55
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54589
PNG
(1-(4-bromophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES Brc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17BrN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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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/Q22N50Q3
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54591
PNG
(3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazo...)
Show SMILES COc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)23-24(21)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
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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/Q22N50Q3
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54597
PNG
(1-(m-tolyl)-3,5-diphenyl-2-pyrazoline | 2-(3-methy...)
Show SMILES Cc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2/c1-17-9-8-14-20(15-17)24-22(19-12-6-3-7-13-19)16-21(23-24)18-10-4-2-5-11-18/h2-15,22H,16H2,1H3
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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/Q22N50Q3
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54598
PNG
(1-(3-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-12-7-13-19(14-18)24-21(17-10-5-2-6-11-17)15-20(23-24)16-8-3-1-4-9-16/h1-14,21H,15H2
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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/Q22N50Q3
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54599
PNG
(1-(4-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17ClN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2
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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/Q22N50Q3
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM54602
PNG
(4-(3,5-diphenyl-2-pyrazolin-1-yl)benzoic acid | 4-...)
Show SMILES OC(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c25-22(26)18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H,25,26)
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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/Q22N50Q3
More data for this
Ligand-Target Pair
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