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PubChem AID 1333

Compile data set for download or QSAR
Found 43 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
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43208
PNG
(4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1...)
Show SMILES O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C24H19N3O4/c28-22(18-8-6-17(7-9-18)14-16-4-2-1-3-5-16)25-24-27-26-23(31-24)19-10-11-20-21(15-19)30-13-12-29-20/h1-11,15H,12-14H2,(H,25,27,28)
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n/an/an/an/a 2.79E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43221
PNG
(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Show SMILES CC1(C)Cc2c(CO1)sc(NC(=S)NC(=O)c1ccccc1)c2C(O)=O
Show InChI InChI=1S/C18H18N2O4S2/c1-18(2)8-11-12(9-24-18)26-15(13(11)16(22)23)20-17(25)19-14(21)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,22,23)(H2,19,20,21,25)
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n/an/an/an/a 92n/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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43213
PNG
(3-(2,3-dihydro-1H-indol-1-ylcarbonyl)-N-(4-ethylph...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N4CCc5ccccc45)c(O)c3c2)cc1
Show InChI InChI=1S/C26H23N3O4S/c1-2-17-7-9-19(10-8-17)28-34(32,33)20-11-12-23-21(15-20)25(30)22(16-27-23)26(31)29-14-13-18-5-3-4-6-24(18)29/h3-12,15-16,28H,2,13-14H2,1H3,(H,27,30)
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n/an/an/an/a 5.01E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43223
PNG
(2-(2,3,5,6-tetramethylbenzoyl)benzoic acid | 2-(2,...)
Show SMILES Cc1cc(C)c(C)c(C(=O)c2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C18H18O3/c1-10-9-11(2)13(4)16(12(10)3)17(19)14-7-5-6-8-15(14)18(20)21/h5-9H,1-4H3,(H,20,21)
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n/an/an/an/a 4.95E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43235
PNG
(2-[2-(4-chlorophenyl)ethylamino]benzoic acid | UNM...)
Show SMILES OC(=O)c1ccccc1NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO2/c16-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,17H,9-10H2,(H,18,19)
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n/an/an/an/a 885n/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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43239
PNG
(3-(4-acetylphenyl)-1-(4-nitrophenyl)-2-propyn-1-on...)
Show SMILES CC(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H11NO4/c1-12(19)14-5-2-13(3-6-14)4-11-17(20)15-7-9-16(10-8-15)18(21)22/h2-3,5-10H,1H3
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n/an/an/an/a 989n/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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43210
PNG
(1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(3-n...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(18)19/h1-8,11H
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n/an/an/an/a 1.35E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM42069
PNG
(2-acetamido-4,5-dinitro-benzoic acid ethyl ester |...)
Show SMILES CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
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n/an/an/an/a 7.18E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43232
PNG
(3-[2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-3...)
Show SMILES Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C24H19F2N3O5/c1-13-11-19(14(2)29(13)15-7-9-16(10-8-15)34-24(25)26)20(30)12-28-22(31)18-6-4-3-5-17(18)21(27-28)23(32)33/h3-11,24H,12H2,1-2H3,(H,32,33)
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n/an/an/an/a 4.89E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43237
PNG
(2-(2-phenylethylthio)-3-pyridinecarboxylic acid me...)
Show SMILES COC(=O)c1cccnc1SCCc1ccccc1
Show InChI InChI=1S/C15H15NO2S/c1-18-15(17)13-8-5-10-16-14(13)19-11-9-12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3
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n/an/an/an/a 2.42E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43238
PNG
(3-cyclohexyl-1-(4-nitrophenyl)-2-propyn-1-one | 3-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C#CC1CCCCC1
Show InChI InChI=1S/C15H15NO3/c17-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)16(18)19/h7-10,12H,1-5H2
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n/an/an/an/a 4.59E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43212
PNG
((5Z)-5-[(2Z)-2-(1-ethyl-3,3-dimethyl-2-indolyliden...)
Show SMILES CCCN1C(=S)S\C(=C/C=C2\N(CC)c3ccccc3C2(C)C)C1=O
Show InChI InChI=1S/C20H24N2OS2/c1-5-13-22-18(23)16(25-19(22)24)11-12-17-20(3,4)14-9-7-8-10-15(14)21(17)6-2/h7-12H,5-6,13H2,1-4H3/b16-11-,17-12-
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n/an/an/an/a 5.59E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM34905
PNG
(1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...)
Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3
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n/an/an/an/a 1.77E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43228
PNG
(1,1,4,4-tetraketo-6-phenyl-N-(p-tolyl)-2,3-dihydro...)
Show SMILES Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1
Show InChI InChI=1S/C18H17NO5S2/c1-13-7-9-15(10-8-13)19-18(20)17-16(14-5-3-2-4-6-14)25(21,22)11-12-26(17,23)24/h2-10H,11-12H2,1H3,(H,19,20)
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n/an/an/an/a 5.87E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43231
PNG
((E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2...)
Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1cccs1
Show InChI InChI=1S/C17H14N2O2S/c20-16(21)9-8-14-12-19(11-13-5-2-1-3-6-13)18-17(14)15-7-4-10-22-15/h1-10,12H,11H2,(H,20,21)/b9-8+
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n/an/an/an/a 2.18E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43207
PNG
(2-[(2,6-dichlorobenzyl)amino]-3-methyl-butyric aci...)
Show SMILES CC(C)C(NCc1c(Cl)cccc1Cl)C(O)=O
Show InChI InChI=1S/C12H15Cl2NO2/c1-7(2)11(12(16)17)15-6-8-9(13)4-3-5-10(8)14/h3-5,7,11,15H,6H2,1-2H3,(H,16,17)
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n/an/an/an/a 5.85E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM34671
PNG
(1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...)
Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
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n/an/an/an/a 1.61E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43209
PNG
(1-(3-methoxyphenyl)-5-(methylsulfonyl)-1H-tetrazol...)
Show SMILES COc1cccc(c1)-n1nnnc1S(C)(=O)=O
Show InChI InChI=1S/C9H10N4O3S/c1-16-8-5-3-4-7(6-8)13-9(10-11-12-13)17(2,14)15/h3-6H,1-2H3
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n/an/an/an/a 1.54E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43218
PNG
((E)-3-(2,4-dichlorophenyl)-2-propenoic acid [2-(3-...)
Show SMILES COc1cccc(NC(=O)COC(=O)\C=C\c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C18H15Cl2NO4/c1-24-15-4-2-3-14(10-15)21-17(22)11-25-18(23)8-6-12-5-7-13(19)9-16(12)20/h2-10H,11H2,1H3,(H,21,22)/b8-6+
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n/an/an/an/a 3.53E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43233
PNG
(1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic a...)
Show SMILES Cc1nn(Cc2ccccc2)c(Cl)c1C(O)=O
Show InChI InChI=1S/C12H11ClN2O2/c1-8-10(12(16)17)11(13)15(14-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17)
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n/an/an/an/a 1.39E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43234
PNG
(2-[(4-chloranylphenoxy)methyl]-5-methoxy-1-benzofu...)
Show SMILES COc1ccc2oc(COc3ccc(Cl)cc3)c(C(O)=O)c2c1
Show InChI InChI=1S/C17H13ClO5/c1-21-12-6-7-14-13(8-12)16(17(19)20)15(23-14)9-22-11-4-2-10(18)3-5-11/h2-8H,9H2,1H3,(H,19,20)
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n/an/an/an/a 6.40E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43236
PNG
(2-(4-chlorophenyl)sulfanylquinoline-4-carboxylic a...)
Show SMILES OC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C16H10ClNO2S/c17-10-5-7-11(8-6-10)21-15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)
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n/an/an/an/a 1.87E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43205
PNG
(3-({[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-2-methyl-p...)
Show SMILES CC(C)C(N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O)c1nnnn1C1CCCC1
Show InChI InChI=1S/C26H32N6OS/c1-17(2)24(25-28-29-30-32(25)21-10-4-5-11-21)31(16-22-12-7-13-34-22)15-20-14-19-9-6-8-18(3)23(19)27-26(20)33/h6-9,12-14,17,21,24H,4-5,10-11,15-16H2,1-3H3,(H,27,33)
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n/an/an/an/a 1.63E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43206
PNG
(3-(2-thenylcarbamoyl)picolinic acid | 3-(thiophen-...)
Show SMILES OC(=O)c1ncccc1C(=O)NCc1cccs1
Show InChI InChI=1S/C12H10N2O3S/c15-11(14-7-8-3-2-6-18-8)9-4-1-5-13-10(9)12(16)17/h1-6H,7H2,(H,14,15)(H,16,17)
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n/an/an/an/a 4.31E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43219
PNG
(3-[2-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-...)
Show SMILES Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClN3O4/c1-13-11-19(14(2)27(13)16-9-7-15(24)8-10-16)20(28)12-26-22(29)18-6-4-3-5-17(18)21(25-26)23(30)31/h3-11H,12H2,1-2H3,(H,30,31)
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n/an/an/an/a 4.80E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43220
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C22H21N3O3S/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/h2-14,22H,15H2,1H3,(H2,23,26,27)
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n/an/an/an/a 8.04E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43227
PNG
(1-[2-(4-chlorophenyl)ethylamino]-3-(2-naphthalenyl...)
Show SMILES OC(CNCCc1ccc(Cl)cc1)COc1ccc2ccccc2c1
Show InChI InChI=1S/C21H22ClNO2/c22-19-8-5-16(6-9-19)11-12-23-14-20(24)15-25-21-10-7-17-3-1-2-4-18(17)13-21/h1-10,13,20,23-24H,11-12,14-15H2
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n/an/an/an/a 1.13E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43229
PNG
(4-mesyl-3-nitro-benzoic acid [2-(cyclohexanecarbon...)
Show SMILES CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)NC(=O)C1CCCCC1
Show InChI InChI=1S/C17H20N2O8S/c1-28(25,26)14-8-7-12(9-13(14)19(23)24)17(22)27-10-15(20)18-16(21)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,18,20,21)
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n/an/an/an/a 1.29E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43214
PNG
(2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio...)
Show SMILES O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)Nc1ccccc1
Show InChI InChI=1S/C19H14N4O2S/c20-11-15-17(13-7-3-1-4-8-13)22-19(23-18(15)25)26-12-16(24)21-14-9-5-2-6-10-14/h1-10H,12H2,(H,21,24)(H,22,23,25)
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n/an/an/an/a 1.66E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43216
PNG
((5Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-etho...)
Show SMILES CCOc1ccc(\C=C2/SC(=NC2=O)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C21H20N2O2S/c1-2-25-18-9-7-15(8-10-18)13-19-20(24)22-21(26-19)23-12-11-16-5-3-4-6-17(16)14-23/h3-10,13H,2,11-12,14H2,1H3/b19-13-
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n/an/an/an/a 1.65E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43224
PNG
(1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5...)
Show SMILES CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C16H15N5O2/c1-3-21-14-13(15(22)20(2)16(23)18-14)17-12(19-21)10-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+
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n/an/an/an/a 1.44E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43220
PNG
(4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C22H21N3O3S/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/h2-14,22H,15H2,1H3,(H2,23,26,27)
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n/an/an/an/a 8.04E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43217
PNG
(4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(F)c1)c1ccccc1
Show InChI InChI=1S/C21H18FN3O2S/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 9.59E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43222
PNG
(4-(2-bromanyl-4-methyl-phenyl)-3-pyrazin-2-yl-1H-1...)
Show SMILES Cc1ccc(c(Br)c1)-n1c(n[nH]c1=S)-c1cnccn1
Show InChI InChI=1S/C13H10BrN5S/c1-8-2-3-11(9(14)6-8)19-12(17-18-13(19)20)10-7-15-4-5-16-10/h2-7H,1H3,(H,18,20)
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n/an/an/an/a 5.38E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43226
PNG
(1,1,4,4-tetraketo-N,6-diphenyl-2,3-dihydro-1,4-dit...)
Show SMILES O=C(Nc1ccccc1)C1=C(c2ccccc2)S(=O)(=O)CCS1(=O)=O
Show InChI InChI=1S/C17H15NO5S2/c19-17(18-14-9-5-2-6-10-14)16-15(13-7-3-1-4-8-13)24(20,21)11-12-25(16,22)23/h1-10H,11-12H2,(H,18,19)
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n/an/an/an/a 4.39E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43230
PNG
(2-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyri...)
Show SMILES OC(=O)c1ccccc1Sc1ncnc2sc3CCCc3c12
Show InChI InChI=1S/C16H12N2O2S2/c19-16(20)10-4-1-2-6-12(10)22-15-13-9-5-3-7-11(9)21-14(13)17-8-18-15/h1-2,4,6,8H,3,5,7H2,(H,19,20)
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n/an/an/an/a 1.84E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43240
PNG
(3-(4-fluorophenyl)-1-(4-nitrophenyl)-2-propyn-1-on...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C15H8FNO3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(9-5-12)17(19)20/h1-2,4-9H
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n/an/an/an/a 3.55E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43241
PNG
(1-[2-(2,5-dimethylphenoxy)ethyl]-3-indolecarboxyli...)
Show SMILES Cc1ccc(C)c(OCCn2cc(C(O)=O)c3ccccc23)c1
Show InChI InChI=1S/C19H19NO3/c1-13-7-8-14(2)18(11-13)23-10-9-20-12-16(19(21)22)15-5-3-4-6-17(15)20/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
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n/an/an/an/a 358n/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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43217
PNG
(4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(F)c1)c1ccccc1
Show InChI InChI=1S/C21H18FN3O2S/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 9.59E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43215
PNG
(5-[[(3-chlorobenzyl)thio]methyl]-N-piperonyl-2-fur...)
Show SMILES Clc1cccc(CSCc2ccc(o2)C(=O)NCc2ccc3OCOc3c2)c1
Show InChI InChI=1S/C21H18ClNO4S/c22-16-3-1-2-15(8-16)11-28-12-17-5-7-19(27-17)21(24)23-10-14-4-6-18-20(9-14)26-13-25-18/h1-9H,10-13H2,(H,23,24)
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n/an/an/an/a 2.06E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43221
PNG
(2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dih...)
Show SMILES CC1(C)Cc2c(CO1)sc(NC(=S)NC(=O)c1ccccc1)c2C(O)=O
Show InChI InChI=1S/C18H18N2O4S2/c1-18(2)8-11-12(9-24-18)26-15(13(11)16(22)23)20-17(25)19-14(21)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,22,23)(H2,19,20,21,25)
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n/an/an/an/a 92.0n/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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43225
PNG
(4-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanyl-...)
Show SMILES Cc1ccc(SC(CC(=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1
Show InChI InChI=1S/C21H24O3S/c1-14-5-11-17(12-6-14)25-19(20(23)24)13-18(22)15-7-9-16(10-8-15)21(2,3)4/h5-12,19H,13H2,1-4H3,(H,23,24)
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n/an/an/an/a 5.11E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM43211
PNG
(6-(4-Methoxy-phenyl)-2-piperazin-1-yl-pyrimidine-4...)
Show SMILES COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N
Show InChI InChI=1S/C16H17N5O/c1-22-14-4-2-12(3-5-14)15-10-13(11-17)19-16(20-15)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3
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n/an/an/an/a 2.71E+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 (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%