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23 similar compounds to monomer 91541

Compile data set for download or QSAR
Wt: 376.4
BDBM54590
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Wt: 328.4
BDBM54591
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Wt: 362.8
BDBM54595
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Wt: 356.4
BDBM54601
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Wt: 328.4
BDBM54616
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Wt: 392.8
BDBM54619
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Wt: 394.4
BDBM54622
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Wt: 376.4
BDBM54625
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Wt: 371.4
BDBM54630
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Wt: 372.4
BDBM54632
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Wt: 407.4
BDBM54649
Wt: 298.3
BDBM91543
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Wt: 388.4
BDBM91544
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Wt: 358.4
BDBM91545
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Wt: 342.3
BDBM91548
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Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 128 hits for monomerid = 54590,54591,54595,54601,54616,54619,54622,54625,54630,54632,54649,91543,91544,91545,91548   
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))
BDBM54619
PNG
(3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1-pheny...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3
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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
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54619
PNG
(3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1-pheny...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3
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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/Q26D5RFF
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54590
PNG
(1-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-2-pyra...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1cccc(F)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C23H21FN2O2/c1-27-20-10-6-16(7-11-20)22-15-23(17-8-12-21(28-2)13-9-17)26(25-22)19-5-3-4-18(24)14-19/h3-14,23H,15H2,1-2H3
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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/Q2GT5KM7
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54595
PNG
(3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
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40n/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 protein Rab-2A.


(Canis lupus familiaris)
BDBM54590
PNG
(1-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-2-pyra...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1cccc(F)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C23H21FN2O2/c1-27-20-10-6-16(7-11-20)22-15-23(17-8-12-21(28-2)13-9-17)26(25-22)19-5-3-4-18(24)14-19/h3-14,23H,15H2,1-2H3
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60n/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 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
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
ras protein


(Homo sapiens (Human))
BDBM54595
PNG
(3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
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240n/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/Q2XW4H7T
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54601
PNG
(UNM-0000305839 | [4-(2,3-diphenyl-3,4-dihydropyraz...)
Show SMILES CC(=O)Oc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-17(26)27-21-14-12-18(13-15-21)22-16-23(19-8-4-2-5-9-19)25(24-22)20-10-6-3-7-11-20/h2-15,23H,16H2,1H3
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530n/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
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
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54649
PNG
(4-[3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C22H21N3O3S/c1-28-19-9-5-8-17(14-19)22-15-21(16-6-3-2-4-7-16)24-25(22)18-10-12-20(13-11-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
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670n/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)
BDBM54595
PNG
(3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
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840n/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/Q26D5RFF
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54649
PNG
(4-[3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C22H21N3O3S/c1-28-19-9-5-8-17(14-19)22-15-21(16-6-3-2-4-7-16)24-25(22)18-10-12-20(13-11-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
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1.01E+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/Q2KS6Q0S
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54622
PNG
(3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fl...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1cccc(F)c1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20F2N2O2/c1-28-22-11-8-16(12-23(22)29-2)21-14-20(15-6-9-17(24)10-7-15)26-27(21)19-5-3-4-18(25)13-19/h3-13,21H,14H2,1-2H3
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1.47E+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/Q2GT5KM7
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54622
PNG
(3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fl...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1cccc(F)c1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20F2N2O2/c1-28-22-11-8-16(12-23(22)29-2)21-14-20(15-6-9-17(24)10-7-15)26-27(21)19-5-3-4-18(25)13-19/h3-13,21H,14H2,1-2H3
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3.03E+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/Q26D5RFF
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54601
PNG
(UNM-0000305839 | [4-(2,3-diphenyl-3,4-dihydropyraz...)
Show SMILES CC(=O)Oc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-17(26)27-21-14-12-18(13-15-21)22-16-23(19-8-4-2-5-9-19)25(24-22)20-10-6-3-7-11-20/h2-15,23H,16H2,1H3
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3.77E+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
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54622
PNG
(3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fl...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1cccc(F)c1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20F2N2O2/c1-28-22-11-8-16(12-23(22)29-2)21-14-20(15-6-9-17(24)10-7-15)26-27(21)19-5-3-4-18(25)13-19/h3-13,21H,14H2,1-2H3
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4.45E+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/Q2KS6Q0S
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM54622
PNG
(3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fl...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1cccc(F)c1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20F2N2O2/c1-28-22-11-8-16(12-23(22)29-2)21-14-20(15-6-9-17(24)10-7-15)26-27(21)19-5-3-4-18(25)13-19/h3-13,21H,14H2,1-2H3
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4.88E+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
Cathepsin H


(Capra hircus (Goat))
BDBM91543
PNG
(1,3,5-triphenyl-2-pyrazoline | 2,3,5-triphenyl-3,4...)
Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,21H,16H2
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Article
PubMed
5.39E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of goat liver cathepsin H using Leu-betaNA substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM91543
PNG
(1,3,5-triphenyl-2-pyrazoline | 2,3,5-triphenyl-3,4...)
Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,21H,16H2
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9.09E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of goat liver cathepsin B using BANA substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54590
PNG
(1-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-2-pyra...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1cccc(F)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C23H21FN2O2/c1-27-20-10-6-16(7-11-20)22-15-23(17-8-12-21(28-2)13-9-17)26(25-22)19-5-3-4-18(24)14-19/h3-14,23H,15H2,1-2H3
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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 (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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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)
BDBM54595
PNG
(3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
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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 (2016)


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


(Canis lupus familiaris)
BDBM54601
PNG
(UNM-0000305839 | [4-(2,3-diphenyl-3,4-dihydropyraz...)
Show SMILES CC(=O)Oc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-17(26)27-21-14-12-18(13-15-21)22-16-23(19-8-4-2-5-9-19)25(24-22)20-10-6-3-7-11-20/h2-15,23H,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 (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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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)
BDBM54619
PNG
(3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1-pheny...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3
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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 (2016)


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


(Canis lupus familiaris)
BDBM54622
PNG
(3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fl...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1cccc(F)c1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20F2N2O2/c1-28-22-11-8-16(12-23(22)29-2)21-14-20(15-6-9-17(24)10-7-15)26-27(21)19-5-3-4-18(25)13-19/h3-13,21H,14H2,1-2H3
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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 (2016)


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


(Canis lupus familiaris)
BDBM54625
PNG
(3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-pheny...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3
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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 (2016)


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


(Canis lupus familiaris)
BDBM54630
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C23H21N3O2/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)25-26(22)19-11-7-18(8-12-19)23(24)27/h2-14,22H,15H2,1H3,(H2,24,27)
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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 (2016)


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


(Canis lupus familiaris)
BDBM54632
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H20N2O3/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-7-18(8-12-19)23(26)27/h2-14,22H,15H2,1H3,(H,26,27)
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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 (2016)


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


(Canis lupus familiaris)
BDBM54649
PNG
(4-[3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C22H21N3O3S/c1-28-19-9-5-8-17(14-19)22-15-21(16-6-3-2-4-7-16)24-25(22)18-10-12-20(13-11-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
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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 (2016)


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


(Homo sapiens (Human))
BDBM54590
PNG
(1-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-2-pyra...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1cccc(F)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C23H21FN2O2/c1-27-20-10-6-16(7-11-20)22-15-23(17-8-12-21(28-2)13-9-17)26(25-22)19-5-3-4-18(24)14-19/h3-14,23H,15H2,1-2H3
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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))
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))
BDBM54595
PNG
(3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
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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))
BDBM54601
PNG
(UNM-0000305839 | [4-(2,3-diphenyl-3,4-dihydropyraz...)
Show SMILES CC(=O)Oc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-17(26)27-21-14-12-18(13-15-21)22-16-23(19-8-4-2-5-9-19)25(24-22)20-10-6-3-7-11-20/h2-15,23H,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))
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))
BDBM54619
PNG
(3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1-pheny...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3
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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))
BDBM54622
PNG
(3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fl...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1cccc(F)c1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20F2N2O2/c1-28-22-11-8-16(12-23(22)29-2)21-14-20(15-6-9-17(24)10-7-15)26-27(21)19-5-3-4-18(25)13-19/h3-13,21H,14H2,1-2H3
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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))
BDBM54625
PNG
(3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-pheny...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3
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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))
BDBM54630
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C23H21N3O2/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)25-26(22)19-11-7-18(8-12-19)23(24)27/h2-14,22H,15H2,1H3,(H2,24,27)
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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))
BDBM54632
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H20N2O3/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-7-18(8-12-19)23(26)27/h2-14,22H,15H2,1H3,(H,26,27)
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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))
BDBM54649
PNG
(4-[3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C22H21N3O3S/c1-28-19-9-5-8-17(14-19)22-15-21(16-6-3-2-4-7-16)24-25(22)18-10-12-20(13-11-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
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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-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54590
PNG
(1-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-2-pyra...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1cccc(F)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C23H21FN2O2/c1-27-20-10-6-16(7-11-20)22-15-23(17-8-12-21(28-2)13-9-17)26(25-22)19-5-3-4-18(24)14-19/h3-14,23H,15H2,1-2H3
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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/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)
BDBM54595
PNG
(3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
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n/an/an/an/a 9.23E+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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54601
PNG
(UNM-0000305839 | [4-(2,3-diphenyl-3,4-dihydropyraz...)
Show SMILES CC(=O)Oc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-17(26)27-21-14-12-18(13-15-21)22-16-23(19-8-4-2-5-9-19)25(24-22)20-10-6-3-7-11-20/h2-15,23H,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)
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 (2009)


BindingDB Entry DOI: 10.7270/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54619
PNG
(3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1-pheny...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3
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n/an/an/an/a 139n/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)
BDBM54622
PNG
(3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fl...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1cccc(F)c1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20F2N2O2/c1-28-22-11-8-16(12-23(22)29-2)21-14-20(15-6-9-17(24)10-7-15)26-27(21)19-5-3-4-18(25)13-19/h3-13,21H,14H2,1-2H3
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n/an/an/an/a 3.33E+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)
BDBM54625
PNG
(3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-pheny...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3
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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/Q2B56H55
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54630
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C23H21N3O2/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)25-26(22)19-11-7-18(8-12-19)23(24)27/h2-14,22H,15H2,1H3,(H2,24,27)
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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
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