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PubChem AID 2041

Compile data set for download or QSAR
Found 100 hits of Enzyme Inhibition Constant Data   
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
Ras-related protein Rab-7a


(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 |c:11|
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
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54642
PNG
(4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11|
Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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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
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54605
PNG
(1-[4-(difluoromethylsulfonyl)phenyl]-3,5-diphenyl-...)
Show SMILES FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:14|
Show InChI InChI=1S/C22H18F2N2O2S/c23-22(24)29(27,28)19-13-11-18(12-14-19)26-21(17-9-5-2-6-10-17)15-20(25-26)16-7-3-1-4-8-16/h1-14,21-22H,15H2
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 30n/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-7a


(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 |t:9|
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-7a


(Canis lupus familiaris)		BDBM54599
PNG
(1-(4-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
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
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54616
PNG
(1-(2-methoxyphenyl)-3,5-diphenyl-2-pyrazoline | 2-...)
Show SMILES COc1ccccc1N1N=C(CC1c1ccccc1)c1ccccc1 |c:10|
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 protein Rab-7a


(Canis lupus familiaris)		BDBM54623
PNG
(1-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-met...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1cc(Cl)ccc1Cl)c1ccc(F)cc1 |c:11|
Show InChI InChI=1S/C22H17Cl2FN2O/c1-28-18-9-4-15(5-10-18)21-13-20(14-2-7-17(25)8-3-14)26-27(21)22-12-16(23)6-11-19(22)24/h2-12,21H,13H2,1H3
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 730n/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-7a


(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 |c:13|
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 protein Rab-7a


(Canis lupus familiaris)		BDBM54589
PNG
(1-(4-bromophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES Brc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
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 (2009)


BindingDB Entry DOI: 10.7270/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |c:12|
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 (2009)


BindingDB Entry DOI: 10.7270/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54618
PNG
(3-(3-nitrophenyl)-2,5-diphenyl-3,4-dihydropyrazole...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccccc1 |c:13|
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-7-10-17(14-19)21-15-20(16-8-3-1-4-9-16)22-23(21)18-11-5-2-6-12-18/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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54623
PNG
(1-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-met...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1cc(Cl)ccc1Cl)c1ccc(F)cc1 |c:11|
Show InChI InChI=1S/C22H17Cl2FN2O/c1-28-18-9-4-15(5-10-18)21-13-20(14-2-7-17(25)8-3-14)26-27(21)22-12-16(23)6-11-19(22)24/h2-12,21H,13H2,1H3
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n/an/an/an/a 1.11E+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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54647
PNG
(4-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C22H21N3O2S/c1-16-7-9-18(10-8-16)22-15-21(17-5-3-2-4-6-17)24-25(22)19-11-13-20(14-12-19)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54652
PNG
(4-[3-(3-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(Br)c1)c1ccccc1 |c:12|
Show InChI InChI=1S/C21H18BrN3O2S/c22-17-8-4-7-16(13-17)21-14-20(15-5-2-1-3-6-15)24-25(21)18-9-11-19(12-10-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54666
PNG
(4-[3-tert-butyl-5-(4-methoxyphenyl)-2-pyrazolin-1-...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)C(C)(C)C |c:11|
Show InChI InChI=1S/C20H25N3O3S/c1-20(2,3)19-13-18(14-5-9-16(26-4)10-6-14)23(22-19)15-7-11-17(12-8-15)27(21,24)25/h5-12,18H,13H2,1-4H3,(H2,21,24,25)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54672
PNG
(4-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihyd...)
Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc(Br)cc1)c1ccc(cc1)S(N)(=O)=O |t:9|
Show InChI InChI=1S/C22H20BrN3O3S/c1-29-19-4-2-3-16(13-19)21-14-22(15-5-7-17(23)8-6-15)26(25-21)18-9-11-20(12-10-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54587
PNG
(1-(4-nitrophenyl)-3,5-diphenyl-2-pyrazoline | 2-(4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1 |t:10|
Show InChI InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54591
PNG
(3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazo...)
Show SMILES COc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1 |c:11|
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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |t:11|
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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54603
PNG
(3-(4-methoxyphenyl)-1-phenyl-5-[2-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1C(F)(F)F)c1ccccc1 |t:9|
Show InChI InChI=1S/C23H19F3N2O/c1-29-18-13-11-16(12-14-18)21-15-22(28(27-21)17-7-3-2-4-8-17)19-9-5-6-10-20(19)23(24,25)26/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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54604
PNG
(3-(4-bromophenyl)-1-phenyl-5-[2-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccccc1C1CC(=NN1c1ccccc1)c1ccc(Br)cc1 |c:13|
Show InChI InChI=1S/C22H16BrF3N2/c23-16-12-10-15(11-13-16)20-14-21(28(27-20)17-6-2-1-3-7-17)18-8-4-5-9-19(18)22(24,25)26/h1-13,21H,14H2
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54616
PNG
(1-(2-methoxyphenyl)-3,5-diphenyl-2-pyrazoline | 2-...)
Show SMILES COc1ccccc1N1N=C(CC1c1ccccc1)c1ccccc1 |c:10|
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 1.02E+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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |c:12|
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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54636
PNG
(4-[3-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1F |c:11|
Show InChI InChI=1S/C22H20FN3O3S/c1-29-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23)25-26(22)16-8-12-18(13-9-16)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54651
PNG
(4-(3,5-diphenyl-2-pyrazolin-1-yl)benzenesulfonamid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C21H19N3O2S/c22-27(25,26)19-13-11-18(12-14-19)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H2,22,25,26)
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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 (2009)


BindingDB Entry DOI: 10.7270/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54659
PNG
(4-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydro...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |c:11|
Show InChI InChI=1S/C20H19N3O3S2/c1-26-16-8-4-14(5-9-16)19-13-18(20-3-2-12-27-20)22-23(19)15-6-10-17(11-7-15)28(21,24)25/h2-12,19H,13H2,1H3,(H2,21,24,25)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54663
PNG
(4-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(Cl)c1)c1ccccc1 |c:12|
Show InChI InChI=1S/C21H18ClN3O2S/c22-17-8-4-7-16(13-17)21-14-20(15-5-2-1-3-6-15)24-25(21)18-9-11-19(12-10-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54665
PNG
(4-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1Cl)c1ccccc1 |c:12|
Show InChI InChI=1S/C21H18ClN3O2S/c22-19-9-5-4-8-18(19)21-14-20(15-6-2-1-3-7-15)24-25(21)16-10-12-17(13-11-16)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54596
PNG
(UNM-0000305834 | cid_23669604 | sodium;4-(3,5-diph...)
Show SMILES [O-]S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C21H18N2O3S/c24-27(25,26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2,(H,24,25,26)/p-1
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |c:11|
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 (2009)


BindingDB Entry DOI: 10.7270/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54611
PNG
(4-[3-(4-ethylphenyl)-5-(4-fluorophenyl)-2-pyrazoli...)
Show SMILES CCc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)S(N)(=O)=O |t:9|
Show InChI InChI=1S/C23H22FN3O2S/c1-2-16-3-5-17(6-4-16)22-15-23(18-7-9-19(24)10-8-18)27(26-22)20-11-13-21(14-12-20)30(25,28)29/h3-14,23H,2,15H2,1H3,(H2,25,28,29)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54620
PNG
(3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[3-(triflu...)
Show SMILES FC(F)(F)c1cccc(c1)N1N=C(CC1c1ccccc1Cl)c1ccc(Cl)cc1 |c:12|
Show InChI InChI=1S/C22H15Cl2F3N2/c23-16-10-8-14(9-11-16)20-13-21(18-6-1-2-7-19(18)24)29(28-20)17-5-3-4-15(12-17)22(25,26)27/h1-12,21H,13H2
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |c:13|
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 2.25E+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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |c:11|
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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54634
PNG
(4-[5-(4-methoxyphenyl)-3-phenyl-1-pyrazolyl]benzen...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-15H,1H3,(H2,23,26,27)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54646
PNG
(4-[3-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N(C)C |c:11|
Show InChI InChI=1S/C24H26N4O3S/c1-27(2)19-8-4-17(5-9-19)23-16-24(18-6-12-21(31-3)13-7-18)28(26-23)20-10-14-22(15-11-20)32(25,29)30/h4-15,24H,16H2,1-3H3,(H2,25,29,30)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54650
PNG
(4-[3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-2-pyraz...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1OC |c:11|
Show InChI InChI=1S/C23H23N3O4S/c1-29-18-11-7-16(8-12-18)22-15-21(20-5-3-4-6-23(20)30-2)25-26(22)17-9-13-19(14-10-17)31(24,27)28/h3-14,22H,15H2,1-2H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54657
PNG
(4-[3-(4-methoxyphenyl)-5-[3-(trifluoromethyl)pheny...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(c1)C(F)(F)F |c:11|
Show InChI InChI=1S/C23H20F3N3O3S/c1-32-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(13-16)23(24,25)26)28-29(22)18-7-11-20(12-8-18)33(27,30)31/h2-13,22H,14H2,1H3,(H2,27,30,31)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54661
PNG
(4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12|
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-17(13-3-7-15(23-2)8-4-13)20(19-12)14-5-9-16(10-6-14)24(18,21)22/h3-10,17H,11H2,1-2H3,(H2,18,21,22)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54662
PNG
(4-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Br)cc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C21H18BrN3O2S/c22-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM13063
PNG
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |c:11|
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 104n/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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54593
PNG
(1,3-bis(4-bromophenyl)-5-(2-fluorophenyl)-2-pyrazo...)
Show SMILES Fc1ccccc1C1CC(=NN1c1ccc(Br)cc1)c1ccc(Br)cc1 |c:10|
Show InChI InChI=1S/C21H15Br2FN2/c22-15-7-5-14(6-8-15)20-13-21(18-3-1-2-4-19(18)24)26(25-20)17-11-9-16(23)10-12-17/h1-12,21H,13H2
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54598
PNG
(1-(3-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54599
PNG
(1-(4-chlorophenyl)-3,5-diphenyl-2-pyrazoline | 2-(...)
Show SMILES Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
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 6.64E+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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54606
PNG
(4-[3-(4-chlorophenyl)-5-phenyl-2-pyrazolin-1-yl]be...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |c:12|
Show InChI InChI=1S/C21H18ClN3O2S/c22-17-8-6-15(7-9-17)20-14-21(16-4-2-1-3-5-16)25(24-20)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54615
PNG
(2-(2-methylphenyl)-3-(3-nitrophenyl)-5-phenyl-3,4-...)
Show SMILES Cc1ccccc1[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccccc1 |t:8|
Show InChI InChI=1S/C22H19N3O2/c1-16-8-5-6-13-21(16)24-22(18-11-7-12-19(14-18)25(26)27)15-20(23-24)17-9-3-2-4-10-17/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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54638
PNG
(4-[3-(2-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Br |c:11|
Show InChI InChI=1S/C22H20BrN3O3S/c1-29-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23)25-26(22)16-8-12-18(13-9-16)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54639
PNG
(4-[3-(3-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Br)c1 |c:11|
Show InChI InChI=1S/C22H20BrN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54655
PNG
(4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihy...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(C)c1 |c:11|
Show InChI InChI=1S/C23H23N3O3S/c1-16-4-3-5-18(14-16)22-15-23(17-6-10-20(29-2)11-7-17)26(25-22)19-8-12-21(13-9-19)30(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54656
PNG
(4-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihy...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:11|
Show InChI InChI=1S/C23H23N3O3S/c1-16-3-5-17(6-4-16)22-15-23(18-7-11-20(29-2)12-8-18)26(25-22)19-9-13-21(14-10-19)30(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54588
PNG
(1-(3-bromophenyl)-3-(4-fluorophenyl)-5-phenyl-2-py...)
Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1cccc(Br)c1 |t:8|
Show InChI InChI=1S/C21H16BrFN2/c22-17-7-4-8-19(13-17)25-21(16-5-2-1-3-6-16)14-20(24-25)15-9-11-18(23)12-10-15/h1-13,21H,14H2
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54597
PNG
(1-(m-tolyl)-3,5-diphenyl-2-pyrazoline | 2-(3-methy...)
Show SMILES Cc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54621
PNG
(1-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccccc1F |t:9|
Show InChI InChI=1S/C22H18F2N2O/c1-27-18-12-8-15(9-13-18)20-14-22(16-6-10-17(23)11-7-16)26(25-20)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |c:11|
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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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54641
PNG
(4-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Cl |c:11|
Show InChI InChI=1S/C22H20ClN3O3S/c1-29-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23)25-26(22)16-8-12-18(13-9-16)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54642
PNG
(4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11|
Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54643
PNG
(4-[3-(4-Bromo-phenyl)-5-(4-methoxy-phenyl)-4,5-dih...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:11|
Show InChI InChI=1S/C22H20BrN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(15-2-6-17(23)7-3-15)25-26(22)18-8-12-20(13-9-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54658
PNG
(4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)pheny...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)C(F)(F)F |c:11|
Show InChI InChI=1S/C23H20F3N3O3S/c1-32-19-10-4-16(5-11-19)22-14-21(15-2-6-17(7-3-15)23(24,25)26)28-29(22)18-8-12-20(13-9-18)33(27,30)31/h2-13,22H,14H2,1H3,(H2,27,30,31)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54667
PNG
(4-[3-(4-methoxyphenyl)-5-[2-(trifluoromethyl)pheny...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C(F)(F)F |c:11|
Show InChI InChI=1S/C23H20F3N3O3S/c1-32-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23(24,25)26)28-29(22)16-8-12-18(13-9-16)33(27,30)31/h2-13,22H,14H2,1H3,(H2,27,30,31)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54586
PNG
(4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyr...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C23H23N3O4S/c1-29-22-13-8-17(14-23(22)30-2)21-15-20(16-6-4-3-5-7-16)25-26(21)18-9-11-19(12-10-18)31(24,27)28/h3-14,21H,15H2,1-2H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54600
PNG
(4-[2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-yl]phe...)
Show SMILES Oc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C21H17N3O3/c25-19-12-6-16(7-13-19)21-14-20(15-4-2-1-3-5-15)22-23(21)17-8-10-18(11-9-17)24(26)27/h1-13,21,25H,14H2
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54605
PNG
(1-[4-(difluoromethylsulfonyl)phenyl]-3,5-diphenyl-...)
Show SMILES FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:14|
Show InChI InChI=1S/C22H18F2N2O2S/c23-22(24)29(27,28)19-13-11-18(12-14-19)26-21(17-9-5-2-6-10-17)15-20(25-26)16-7-3-1-4-8-16/h1-14,21-22H,15H2
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n/an/an/an/a 508n/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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54610
PNG
(2,3-dimethoxy-6-[5-(4-methoxyphenyl)-2-phenyl-2-py...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OC)c(OC)c1C(O)=O)c1ccccc1 |t:9|
Show InChI InChI=1S/C25H24N2O5/c1-30-18-11-9-16(10-12-18)20-15-21(27(26-20)17-7-5-4-6-8-17)19-13-14-22(31-2)24(32-3)23(19)25(28)29/h4-14,21H,15H2,1-3H3,(H,28,29)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54619
PNG
(3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1-pheny...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1 |c:13|
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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54624
PNG
(1-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccccc1F)c1ccc(Cl)cc1 |t:9|
Show InChI InChI=1S/C22H18ClFN2O/c1-27-18-12-6-15(7-13-18)21-14-22(19-4-2-3-5-20(19)24)26(25-21)17-10-8-16(23)9-11-17/h2-13,22H,14H2,1H3
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54625
PNG
(3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-pheny...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(F)cc1 |c:13|
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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |c:12|
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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54644
PNG
(4-[3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-pyraz...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(OC)c1 |c:11|
Show InChI InChI=1S/C23H23N3O4S/c1-29-19-10-6-16(7-11-19)23-15-22(17-4-3-5-20(14-17)30-2)25-26(23)18-8-12-21(13-9-18)31(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54654
PNG
(4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihy...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C |c:11|
Show InChI InChI=1S/C23H23N3O3S/c1-16-5-3-4-6-21(16)22-15-23(17-7-11-19(29-2)12-8-17)26(25-22)18-9-13-20(14-10-18)30(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |c:12|
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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54612
PNG
(2-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-5-(4-br...)
Show SMILES FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Br)cc1 |c:14|
Show InChI InChI=1S/C22H17BrF2N2O2S/c23-17-8-6-15(7-9-17)20-14-21(16-4-2-1-3-5-16)27(26-20)18-10-12-19(13-11-18)30(28,29)22(24)25/h1-13,21-22H,14H2
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54614
PNG
(N,N-dimethyl-4-[2-(4-nitrophenyl)-5-phenyl-3,4-dih...)
Show SMILES CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C23H22N4O2/c1-25(2)19-10-8-18(9-11-19)23-16-22(17-6-4-3-5-7-17)24-26(23)20-12-14-21(15-13-20)27(28)29/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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54626
PNG
(3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1cccc(F)c1 |t:9|
Show InChI InChI=1S/C22H18ClFN2O/c1-27-20-11-7-15(8-12-20)21-14-22(16-5-9-17(23)10-6-16)26(25-21)19-4-2-3-18(24)13-19/h2-13,22H,14H2,1H3
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54637
PNG
(4-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1 |c:11|
Show InChI InChI=1S/C22H20FN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(15-2-6-17(23)7-3-15)25-26(22)18-8-12-20(13-9-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54668
PNG
(4-[3-cyclohexyl-5-(4-methoxyphenyl)-2-pyrazolin-1-...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)C1CCCCC1 |c:11|
Show InChI InChI=1S/C22H27N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h7-14,16,22H,2-6,15H2,1H3,(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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54669
PNG
(4-[3-[3-(dimethylamino)phenyl]-5-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(c1)N(C)C |c:11|
Show InChI InChI=1S/C24H26N4O3S/c1-27(2)20-6-4-5-18(15-20)23-16-24(17-7-11-21(31-3)12-8-17)28(26-23)19-9-13-22(14-10-19)32(25,29)30/h4-15,24H,16H2,1-3H3,(H2,25,29,30)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54671
PNG
(4-[3-(4-methoxyphenyl)-5-pyridin-4-yl-3,4-dihydrop...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccncc1 |c:11|
Show InChI InChI=1S/C21H20N4O3S/c1-28-18-6-2-16(3-7-18)21-14-20(15-10-12-23-13-11-15)24-25(21)17-4-8-19(9-5-17)29(22,26)27/h2-13,21H,14H2,1H3,(H2,22,26,27)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54592
PNG
(1-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-2-...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(Cl)c(Cl)c1)c1ccc(OC)cc1 |c:11|
Show InChI InChI=1S/C23H20Cl2N2O2/c1-28-18-8-3-15(4-9-18)22-14-23(16-5-10-19(29-2)11-6-16)27(26-22)17-7-12-20(24)21(25)13-17/h3-13,23H,14H2,1-2H3
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54594
PNG
(3-(4-bromophenyl)-1-(2-chlorophenyl)-5-(4-methoxyp...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11|
Show InChI InChI=1S/C22H18BrClN2O/c1-27-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)25-26(22)21-5-3-2-4-19(21)24/h2-13,22H,14H2,1H3
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |t:9|
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 679n/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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |c:12|
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 (2009)


BindingDB Entry DOI: 10.7270/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM41685
PNG
(4-[3-(4-bromophenyl)-5-(4-fluorophenyl)-2-pyrazoli...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1 |c:12|
Show InChI InChI=1S/C21H17BrFN3O2S/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)18-9-11-19(12-10-18)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54613
PNG
(3-(4-methoxyphenyl)-2-(4-nitrophenyl)-5-phenyl-3,4...)
Show SMILES COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C22H19N3O3/c1-28-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)23-24(22)18-9-11-19(12-10-18)25(26)27/h2-14,22H,15H2,1H3
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54628
PNG
(3-(4-fluorophenyl)-5-(3-nitrophenyl)-1-phenyl-2-py...)
Show SMILES [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccc(F)cc1 |c:13|
Show InChI InChI=1S/C21H16FN3O2/c22-17-11-9-15(10-12-17)20-14-21(16-5-4-8-19(13-16)25(26)27)24(23-20)18-6-2-1-3-7-18/h1-13,21H,14H2
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54629
PNG
(2-chloranyl-5-[3-(4-methoxyphenyl)-5-phenyl-3,4-di...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(Cl)c(c1)C(O)=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C23H19ClN2O3/c1-29-18-10-7-16(8-11-18)22-14-21(15-5-3-2-4-6-15)25-26(22)17-9-12-20(24)19(13-17)23(27)28/h2-13,22H,14H2,1H3,(H,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54631
PNG
(2-chloranyl-5-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccc(Cl)c(c1)C(O)=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C24H21ClN2O4/c1-30-22-11-8-16(12-23(22)31-2)21-14-20(15-6-4-3-5-7-15)26-27(21)17-9-10-19(25)18(13-17)24(28)29/h3-13,21H,14H2,1-2H3,(H,28,29)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54633
PNG
(4-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C22H21N3O3S/c1-28-22-10-6-5-9-19(22)21-15-20(16-7-3-2-4-8-16)24-25(21)17-11-13-18(14-12-17)29(23,26)27/h2-14,21H,15H2,1H3,(H2,23,26,27)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54635
PNG
(4-[3-(3-fluorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(F)c1 |c:11|
Show InChI InChI=1S/C22H20FN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54640
PNG
(4-[3-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-4,5-di...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:11|
Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(15-2-6-17(23)7-3-15)25-26(22)18-8-12-20(13-9-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54645
PNG
(4-[3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]benze...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(OC)cc1 |c:11|
Show InChI InChI=1S/C23H23N3O4S/c1-29-19-9-3-16(4-10-19)22-15-23(17-5-11-20(30-2)12-6-17)26(25-22)18-7-13-21(14-8-18)31(24,27)28/h3-14,23H,15H2,1-2H3,(H2,24,27,28)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54648
PNG
(4-[3-(3-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...)
Show SMILES Cc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C22H21N3O2S/c1-16-6-5-9-18(14-16)22-15-21(17-7-3-2-4-8-17)24-25(22)19-10-12-20(13-11-19)28(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(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 |c:11|
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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54653
PNG
(4-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-...)
Show SMILES Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C22H21N3O2S/c1-16-7-5-6-10-20(16)22-15-21(17-8-3-2-4-9-17)24-25(22)18-11-13-19(14-12-18)28(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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54660
PNG
(4-[3-(4-methoxyphenyl)-5-(3-thiophenyl)-3,4-dihydr...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccsc1 |c:11|
Show InChI InChI=1S/C20H19N3O3S2/c1-26-17-6-2-14(3-7-17)20-12-19(15-10-11-27-13-15)22-23(20)16-4-8-18(9-5-16)28(21,24)25/h2-11,13,20H,12H2,1H3,(H2,21,24,25)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54664
PNG
(4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:12|
Show InChI InChI=1S/C21H18ClN3O2S/c22-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54670
PNG
(4-[3-(4-methoxyphenyl)-5-(3-pyridinyl)-3,4-dihydro...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccnc1 |c:11|
Show InChI InChI=1S/C21H20N4O3S/c1-28-18-8-4-15(5-9-18)21-13-20(16-3-2-12-23-14-16)24-25(21)17-6-10-19(11-7-17)29(22,26)27/h2-12,14,21H,13H2,1H3,(H2,22,26,27)
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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54673
PNG
(4-[3-(2-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1Br)c1ccccc1 |c:12|
Show InChI InChI=1S/C21H18BrN3O2S/c22-19-9-5-4-8-18(19)21-14-20(15-6-2-1-3-7-15)24-25(21)16-10-12-17(13-11-16)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
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UniChem

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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/Q2MK6B9H
More data for this
Ligand-Target Pair
Ras-related protein Rab-7a


(Canis lupus familiaris)		BDBM54674
PNG
(3-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1cccc(c1)S(N)(=O)=O)c1ccccc1 |c:11|
Show InChI InChI=1S/C22H21N3O3S/c1-28-19-12-10-17(11-13-19)22-15-21(16-6-3-2-4-7-16)24-25(22)18-8-5-9-20(14-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
PDB
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UniChem

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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/Q2MK6B9H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%