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PubChem AID 1769

Compile data set for download or QSAR
Found 186 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
glutathione S-transferase


(Homo sapiens)
BDBM47553
PNG
(7-(3-methoxyphenyl)-5-phenyl-1,5,6,7-tetrahydro-[1...)
Show SMILES COc1cccc(c1)C1CC(Nc2ncnn12)c1ccccc1
Show InChI InChI=1S/C18H18N4O/c1-23-15-9-5-8-14(10-15)17-11-16(13-6-3-2-4-7-13)21-18-19-12-20-22(17)18/h2-10,12,16-17H,11H2,1H3,(H,19,20,21)
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n/an/an/an/a 6.49E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47556
PNG
(2-(cycloheptylamino)-9,10-dimethoxy-6,7-dihydropyr...)
Show SMILES COc1cc2CCn3c(cc(NC4CCCCCC4)nc3=O)-c2cc1OC
Show InChI InChI=1S/C21H27N3O3/c1-26-18-11-14-9-10-24-17(16(14)12-19(18)27-2)13-20(23-21(24)25)22-15-7-5-3-4-6-8-15/h11-13,15H,3-10H2,1-2H3,(H,22,23,25)
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n/an/an/an/a 2.10E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM46295
PNG
(4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-N-(4-meth...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccc(C)cc2)n1
Show InChI InChI=1S/C17H15N5S/c1-11-4-6-13(7-5-11)20-17-21-14(10-23-17)15-12(2)19-16-18-8-3-9-22(15)16/h3-10H,1-2H3,(H,20,21)
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n/an/an/an/a 3.48E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32291
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-(3-pyrid...)
Show SMILES CN(N=Cc1cccnc1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C14H12N4O2S/c1-18(16-10-11-5-4-8-15-9-11)14-12-6-2-3-7-13(12)21(19,20)17-14/h2-10H,1H3
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n/an/an/an/a 5.05E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM45071
PNG
(3-[4-[(Z)-(2-amino-4-keto-2-thiazolin-5-ylidene)me...)
Show SMILES NC1=NC(=O)C(S1)=Cc1cn(CCC(O)=O)nc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN4O3S/c17-11-3-1-9(2-4-11)14-10(7-12-15(24)19-16(18)25-12)8-21(20-14)6-5-13(22)23/h1-4,7-8H,5-6H2,(H,22,23)(H2,18,19,24)
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n/an/an/an/a 2.92E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32294
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-[[(E)-3-...)
Show SMILES CN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C17H15N3O2S/c1-20(18-13-7-10-14-8-3-2-4-9-14)17-15-11-5-6-12-16(15)23(21,22)19-17/h2-13H,1H3/b10-7+,18-13?
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n/an/an/an/a 6.02E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47585
PNG
(1-(2,1,3-benzothiadiazol-4-yl)-3-[(3,4-dimethoxyph...)
Show SMILES COc1ccc(C=NNC(=O)Nc2cccc3nsnc23)cc1OC
Show InChI InChI=1S/C16H15N5O3S/c1-23-13-7-6-10(8-14(13)24-2)9-17-19-16(22)18-11-4-3-5-12-15(11)21-25-20-12/h3-9H,1-2H3,(H2,18,19,22)
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n/an/an/an/a 682n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47586
PNG
(3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-...)
Show SMILES CC(C)(C)NC(=O)CC\[N+]([N-][CH+]c1ccc(o1)[N+]([O-])=O)=C1\[N-]S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H21N5O6S/c1-19(2,3)21-16(25)10-11-23(20-12-13-8-9-17(30-13)24(26)27)18-14-6-4-5-7-15(14)31(28,29)22-18/h4-9,12H,10-11H2,1-3H3,(H,21,25)/b23-18-
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n/an/an/an/a 3.39E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47595
PNG
(4-amino-5-[(E)-(3-ethoxy-4-keto-cyclohexa-2,5-dien...)
Show SMILES CCOC1=CC(=Cc2sc(=O)[nH]c2N)C=CC1=O
Show InChI InChI=1S/C12H12N2O3S/c1-2-17-9-5-7(3-4-8(9)15)6-10-11(13)14-12(16)18-10/h3-6H,2,13H2,1H3,(H,14,16)
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n/an/an/an/a 2.47E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM45196
PNG
(1-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]-3...)
Show SMILES Cc1c(NC(=S)NNC2=c3cc(Br)ccc3=NC2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H17BrN6O2S/c1-11-16(19(29)27(26(11)2)13-6-4-3-5-7-13)23-20(30)25-24-17-14-10-12(21)8-9-15(14)22-18(17)28/h3-10H,1-2H3,(H,22,24,28)(H2,23,25,30)
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n/an/an/an/a 1.48E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM42257
PNG
(3,4,5-trihydroxybenzoic acid [(3R,4S,5S,6S)-3,4,5,...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27?,33-,34+,35+,41+/m1/s1
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n/an/an/an/a 951n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47601
PNG
((4E)-4-[(7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-...)
Show SMILES COc1cc(CN=Nc2ncnc3sc4CCCc4c23)ccc1O
Show InChI InChI=1S/C17H16N4O2S/c1-23-13-7-10(5-6-12(13)22)8-20-21-16-15-11-3-2-4-14(11)24-17(15)19-9-18-16/h5-7,9,22H,2-4,8H2,1H3
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n/an/an/an/a 1.45E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM43106
PNG
(MLS000393139 | SMR000247460 | cid_4840482)
Show SMILES CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O
Show InChI InChI=1S/C22H18N2O5S2/c1-10-11(2)31-20-17(10)21(27)24-9-13(18(26)14-6-4-5-7-15(14)25)8-16(19(24)23-20)30-12(3)22(28)29/h4-9,12,25H,1-3H3,(H,28,29)
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n/an/an/an/a 9.27E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47606
PNG
(3-({[(3-methoxy-2-naphthoyl)amino]carbonothioyl}am...)
Show SMILES COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H16N2O4S/c1-26-17-11-13-6-3-2-5-12(13)10-16(17)18(23)22-20(27)21-15-8-4-7-14(9-15)19(24)25/h2-11H,1H3,(H,24,25)(H2,21,22,23,27)
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n/an/an/an/a 9.30E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47629
PNG
(MLS000711688 | N'-[2,5-dimethoxy-4-(2-thenoylamino...)
Show SMILES COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C26H24N4O5S/c1-34-21-15-20(30-26(33)23-6-4-12-36-23)22(35-2)14-19(21)29-25(32)10-9-24(31)28-17-7-8-18-16(13-17)5-3-11-27-18/h3-8,11-15H,9-10H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)
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n/an/an/an/a 481n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM46297
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-(4-pyridylme...)
Show SMILES OCCN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C15H14N4O3S/c20-10-9-19(17-11-12-5-7-16-8-6-12)15-13-3-1-2-4-14(13)23(21,22)18-15/h1-8,11,20H,9-10H2
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n/an/an/an/a 3.61E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47643
PNG
(4-(1H-imidazol-5-yl)-2,6-dinitro-aniline | 4-(1H-i...)
Show SMILES Nc1c(cc(cc1[N+]([O-])=O)-c1c[nH]cn1)[N+]([O-])=O
Show InChI InChI=1S/C9H7N5O4/c10-9-7(13(15)16)1-5(2-8(9)14(17)18)6-3-11-4-12-6/h1-4H,10H2,(H,11,12)
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n/an/an/an/a 391n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47645
PNG
((2E)-1-phenyl-3-[4-(3-phenyl-4,5-dihydro-1H-pyrazo...)
Show SMILES O=C(C=Cc1ccc(cc1)N1CCC(=N1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20N2O/c27-24(21-9-5-2-6-10-21)16-13-19-11-14-22(15-12-19)26-18-17-23(25-26)20-7-3-1-4-8-20/h1-16H,17-18H2
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n/an/an/an/a 340n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47646
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-(2-furfuryliden...)
Show SMILES CN(N=Cc1ccco1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C13H11N3O3S/c1-16(14-9-10-5-4-8-19-10)13-11-6-2-3-7-12(11)20(17,18)15-13/h2-9H,1H3
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n/an/an/an/a 2.55E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47663
PNG
(4-(allylamino)-6,7-dimethoxy-1H-quinazoline-2-thio...)
Show SMILES COc1cc2nc(=S)[nH]c(NCC=C)c2cc1OC
Show InChI InChI=1S/C13H15N3O2S/c1-4-5-14-12-8-6-10(17-2)11(18-3)7-9(8)15-13(19)16-12/h4,6-7H,1,5H2,2-3H3,(H2,14,15,16,19)
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n/an/an/an/a 1.33E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47668
PNG
(MLS000685725 | N-[(5Z)-5-(1-acetyl-2-keto-indolin-...)
Show SMILES CC(=O)N1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c2ccccc12
Show InChI InChI=1S/C20H13N3O5S2/c1-10(24)22-14-5-3-2-4-13(14)15(18(22)27)16-19(28)23(20(29)30-16)21-17(26)11-6-8-12(25)9-7-11/h2-9,25H,1H3,(H,21,26)
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n/an/an/an/a 4.13E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47670
PNG
(8-amino-7-methyl-9-nitro-1H-benzo[g]pteridine-2,4-...)
Show SMILES Cc1cc2nc3c(nc2c(c1N)[N+]([O-])=O)[nH]c(=O)[nH]c3=O
Show InChI InChI=1S/C11H8N6O4/c1-3-2-4-6(8(5(3)12)17(20)21)14-9-7(13-4)10(18)16-11(19)15-9/h2H,12H2,1H3,(H2,14,15,16,18,19)
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n/an/an/an/a 1.18E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47678
PNG
(2-[2-(2-fluoranylphenoxy)ethylsulfanyl]-3-methyl-q...)
Show SMILES Cn1c(SCCOc2ccccc2F)nc2ccccc2c1=O
Show InChI InChI=1S/C17H15FN2O2S/c1-20-16(21)12-6-2-4-8-14(12)19-17(20)23-11-10-22-15-9-5-3-7-13(15)18/h2-9H,10-11H2,1H3
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n/an/an/an/a 4.72E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32331
PNG
(MLS001007244 | SMR000352519 | cid_982808)
Show SMILES O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O2S/c31-25-21-20(17-6-2-1-3-7-17)16-33-24(21)27-23-19-9-5-4-8-18(19)22(28-30(23)25)26-10-11-29-12-14-32-15-13-29/h1-9,16H,10-15H2,(H,26,28)
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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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47691
PNG
(1-ethyl-3-[(2-keto-5-nitro-indol-3-yl)amino]thiour...)
Show SMILES CCNC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C11H11N5O3S/c1-2-12-11(20)15-14-9-7-5-6(16(18)19)3-4-8(7)13-10(9)17/h3-5H,2H2,1H3,(H3,12,13,14,15,17,20)
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n/an/an/an/a 1.93E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM34465
PNG
(2,5-dimethoxy-N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Show InChI InChI=1S/C16H16N4O5S2/c1-24-11-4-6-13(25-2)15(8-11)27(22,23)20-10-3-5-12(21)14(7-10)26-16-17-9-18-19-16/h3-9,20-21H,1-2H3,(H,17,18,19)
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n/an/an/an/a 4.38E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM50293573
PNG
(4-(4-(2,4-dihydroxyphenyl)thiazol-2-ylamino)benzen...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H13N3O4S2/c16-24(21,22)11-4-1-9(2-5-11)17-15-18-13(8-23-15)12-6-3-10(19)7-14(12)20/h1-8,19-20H,(H,17,18)(H2,16,21,22)
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n/an/an/an/a 2.30E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47563
PNG
((E)-3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)-2-(...)
Show SMILES COc1cc(N2CCCC2)c(OC)cc1\C=C(\C#N)c1cccc(F)c1
Show InChI InChI=1S/C21H21FN2O2/c1-25-20-13-19(24-8-3-4-9-24)21(26-2)12-16(20)10-17(14-23)15-6-5-7-18(22)11-15/h5-7,10-13H,3-4,8-9H2,1-2H3/b17-10-
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n/an/an/an/a 1.71E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47587
PNG
((5Z)-2-oxidanylidene-4-phenylazanyl-5-[[2-(phenylm...)
Show SMILES O=c1[nH]cc(C=NN=Cc2ccccc2)c(Nc2ccccc2)c1C#N
Show InChI InChI=1S/C20H15N5O/c21-11-18-19(25-17-9-5-2-6-10-17)16(13-22-20(18)26)14-24-23-12-15-7-3-1-4-8-15/h1-10,12-14H,(H2,22,25,26)
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n/an/an/an/a 4.10E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47591
PNG
((6'-acetyloxy-3-oxidanylidene-spiro[2-benzofuran-1...)
Show SMILES CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccccc23)c1
Show InChI InChI=1S/C24H16O7/c1-13(25)28-15-7-9-19-21(11-15)30-22-12-16(29-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)31-24/h3-12H,1-2H3
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n/an/an/an/a 1.51E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47596
PNG
(4-[2-[(5E)-5-(4-chlorobenzylidene)-4-keto-2-thioxo...)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=S)S\C(=C\c3ccc(Cl)cc3)C2=O)cc1
Show InChI InChI=1S/C18H15ClN2O3S3/c19-14-5-1-13(2-6-14)11-16-17(22)21(18(25)26-16)10-9-12-3-7-15(8-4-12)27(20,23)24/h1-8,11H,9-10H2,(H2,20,23,24)/b16-11+
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n/an/an/an/a 6.03E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM34827
PNG
(2-(2,5-dinitro-3-thienyl)pyrimidine | 2-(2,5-dinit...)
Show SMILES [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
Show InChI InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
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n/an/an/an/a 7.57E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47604
PNG
(2-(p-anisoylhydrazono)chromene-3-carboxamide | 2-[...)
Show SMILES COc1ccc(cc1)C(=O)NN=c1oc2ccccc2cc1C(N)=O
Show InChI InChI=1S/C18H15N3O4/c1-24-13-8-6-11(7-9-13)17(23)20-21-18-14(16(19)22)10-12-4-2-3-5-15(12)25-18/h2-10H,1H3,(H2,19,22)(H,20,23)
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n/an/an/an/a 4.62E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47608
PNG
((4E)-2-bromanyl-6-methoxy-4-[[(phenylmethyl)amino]...)
Show SMILES COc1cc(cc(Br)c1O)C(=S)NCc1ccccc1
Show InChI InChI=1S/C15H14BrNO2S/c1-19-13-8-11(7-12(16)14(13)18)15(20)17-9-10-5-3-2-4-6-10/h2-8,18H,9H2,1H3,(H,17,20)
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n/an/an/an/a 5.37E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM34857
PNG
(2-(4-morpholinylmethyl)-1-naphthalenol | 2-(morpho...)
Show SMILES Oc1c(CN2CCOCC2)ccc2ccccc12
Show InChI InChI=1S/C15H17NO2/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15/h1-6,17H,7-11H2
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n/an/an/an/a 2.45E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47637
PNG
(1-{2-[4-(benzoylamino)phenyl]-2-oxoethyl}quinolini...)
Show SMILES O=C(C[n+]1cccc2ccccc12)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C24H18N2O2/c27-23(17-26-16-6-10-18-7-4-5-11-22(18)26)19-12-14-21(15-13-19)25-24(28)20-8-2-1-3-9-20/h1-16H,17H2/p+1
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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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47640
PNG
(7-nitro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)c(nc1nncn21)-c1ccccc1
Show InChI InChI=1S/C15H9N5O2/c21-20(22)11-6-7-13-12(8-11)14(10-4-2-1-3-5-10)17-15-18-16-9-19(13)15/h1-9H
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n/an/an/an/a 3.04E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47644
PNG
((2E)-6-methoxy-2-[(thien-2-ylcarbonyl)hydrazono]-2...)
Show SMILES COc1ccc2oc(=NNC(=O)c3cccs3)c(cc2c1)C(N)=O
Show InChI InChI=1S/C16H13N3O4S/c1-22-10-4-5-12-9(7-10)8-11(14(17)20)16(23-12)19-18-15(21)13-3-2-6-24-13/h2-8H,1H3,(H2,17,20)(H,18,21)
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n/an/an/an/a 7.29E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47656
PNG
(3-(2-chlorobenzyl)-4-imino-6,7-dimethoxy-3,4-dihyd...)
Show SMILES COc1cc2nc(=S)n(Cc3ccccc3Cl)c(N)c2cc1OC
Show InChI InChI=1S/C17H16ClN3O2S/c1-22-14-7-11-13(8-15(14)23-2)20-17(24)21(16(11)19)9-10-5-3-4-6-12(10)18/h3-8H,9,19H2,1-2H3
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n/an/an/an/a 3.14E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47661
PNG
(MLS000716772 | SMR000278289 | cid_4887504)
Show SMILES Nc1nc(=O)c2C(C3=C(Nc2[nH]1)c1ccccc1C3=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H16N4O2/c25-24-27-22-19(23(30)28-24)17(14-11-5-7-12-6-1-2-8-13(12)14)18-20(26-22)15-9-3-4-10-16(15)21(18)29/h1-11,17H,(H4,25,26,27,28,30)
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n/an/an/an/a 2.59E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47673
PNG
(4-(7-methoxy-1-benzofuran-2-yl)-2-pyrimidinethiol ...)
Show SMILES COc1cccc2cc(oc12)-c1cc[nH]c(=S)n1
Show InChI InChI=1S/C13H10N2O2S/c1-16-10-4-2-3-8-7-11(17-12(8)10)9-5-6-14-13(18)15-9/h2-7H,1H3,(H,14,15,18)
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n/an/an/an/a 2.88E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47688
PNG
(2-amino-4-(cyanomethyl)-6-(4-formyl-1-piperazinyl)...)
Show SMILES Nc1nc(N2CCN(CC2)C=O)c(C#N)c(CC#N)c1C#N
Show InChI InChI=1S/C14H13N7O/c15-2-1-10-11(7-16)13(18)19-14(12(10)8-17)21-5-3-20(9-22)4-6-21/h9H,1,3-6H2,(H2,18,19)
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n/an/an/an/a 1.57E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32263
PNG
(3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H...)
Show SMILES Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N6S/c1-13-11-17(22-21-13)19-23-24-20-26(19)25-18(12-27-20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,22)
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n/an/an/an/a 6.80E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47559
PNG
(2-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amin...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C21H26N4O4S2/c1-24-9-11-25(12-10-24)31(28,29)15-6-4-5-14(13-15)20(27)23-21-18(19(22)26)16-7-2-3-8-17(16)30-21/h4-6,13H,2-3,7-12H2,1H3,(H2,22,26)(H,23,27)
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n/an/an/an/a 1.98E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32276
PNG
(4-(butylamino)-6,7-dimethoxy-1H-quinazoline-2-thio...)
Show SMILES CCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C14H19N3O2S/c1-4-5-6-15-13-9-7-11(18-2)12(19-3)8-10(9)16-14(20)17-13/h7-8H,4-6H2,1-3H3,(H2,15,16,17,20)
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n/an/an/an/a 1.09E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47568
PNG
(1-[(3,4-dimethoxyphenyl)methylideneamino]-3-thioph...)
Show SMILES COc1ccc(C=Nn2c(N)c(c3nc4ccccc4nc23)S(=O)(=O)c2cccs2)cc1OC
Show InChI InChI=1S/C23H19N5O4S2/c1-31-17-10-9-14(12-18(17)32-2)13-25-28-22(24)21(34(29,30)19-8-5-11-33-19)20-23(28)27-16-7-4-3-6-15(16)26-20/h3-13H,24H2,1-2H3
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n/an/an/an/a 612n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47571
PNG
(10-(4-methoxyphenyl)-2-methyl-8,9-dihydro-3H-cyclo...)
Show SMILES COc1ccc(cc1)-c1c2CCCc2nc2sc3c([nH]c(C)nc3=O)c12
Show InChI InChI=1S/C20H17N3O2S/c1-10-21-17-16-15(11-6-8-12(25-2)9-7-11)13-4-3-5-14(13)23-20(16)26-18(17)19(24)22-10/h6-9H,3-5H2,1-2H3,(H,21,22,24)
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n/an/an/an/a 3.74E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM34716
PNG
((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1
Show InChI InChI=1S/C14H10N4O3S/c19-10-4-3-8(6-11(10)20)9-7-22-14-16-15-13(18(14)17-9)12-2-1-5-21-12/h1-6,19-20H,7H2
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n/an/an/an/a 1.29E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM44034
PNG
(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonic acid benz...)
Show SMILES COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3OCCOc3c2)ccc1O
Show InChI InChI=1S/C25H25N3O7S/c1-33-23-13-19(7-9-21(23)29)15-26-27-25(30)17-28(16-18-5-3-2-4-6-18)36(31,32)20-8-10-22-24(14-20)35-12-11-34-22/h2-10,13-15,29H,11-12,16-17H2,1H3,(H,27,30)
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n/an/an/an/a 2.03E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM34783
PNG
((4E)-4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-methyl-...)
Show SMILES Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccc(O)cc2O)n1
Show InChI InChI=1S/C17H18N6O2/c1-10-7-16(20-17(19-10)23-12(3)6-11(2)22-23)21-18-9-13-4-5-14(24)8-15(13)25/h4-8,24-25H,9H2,1-3H3
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n/an/an/an/a 831n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM34784
PNG
(8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine...)
Show SMILES Cc1cc2nc3c(nc2cc1N)[nH]c(=O)n(C1CCCCC1)c3=O
Show InChI InChI=1S/C17H19N5O2/c1-9-7-12-13(8-11(9)18)20-15-14(19-12)16(23)22(17(24)21-15)10-5-3-2-4-6-10/h7-8,10H,2-6,18H2,1H3,(H,20,21,24)
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n/an/an/an/a 6.99E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47600
PNG
((E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-2...)
Show SMILES CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H20BrNO/c1-3-21(4-2)18-12-5-15(6-13-18)7-14-19(22)16-8-10-17(20)11-9-16/h5-14H,3-4H2,1-2H3/b14-7+
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n/an/an/an/a 1.12E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47612
PNG
(2-[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanyli...)
Show SMILES Cc1ccc2n(CC(O)=O)c3nc(SCC(=O)N4CCCc5ccccc45)nnc3c2c1
Show InChI InChI=1S/C23H21N5O3S/c1-14-8-9-18-16(11-14)21-22(28(18)12-20(30)31)24-23(26-25-21)32-13-19(29)27-10-4-6-15-5-2-3-7-17(15)27/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3,(H,30,31)
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n/an/an/an/a 6.97E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47618
PNG
(4-[2-[1-(1,3-benzodioxol-5-yl)ethylidene]hydraziny...)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C15H14N4O6S/c1-9(10-2-5-14-15(6-10)25-8-24-14)17-18-12-4-3-11(26(16,22)23)7-13(12)19(20)21/h2-7,9H,8H2,1H3,(H2,16,22,23)
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n/an/an/an/a 1.40E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47623
PNG
(5-(2-pyridinylmethylamino)-8-quinazolino[2,3-a]pht...)
Show SMILES O=c1c2ccccc2nc2c3ccccc3c(NCc3ccccn3)nn12
Show InChI InChI=1S/C21H15N5O/c27-21-17-10-3-4-11-18(17)24-20-16-9-2-1-8-15(16)19(25-26(20)21)23-13-14-7-5-6-12-22-14/h1-12H,13H2,(H,23,25)
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n/an/an/an/a 3.76E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47624
PNG
(9-(4-methylphenyl)-5-{[3-(4-morpholinyl)propyl]ami...)
Show SMILES Cc1ccc(cc1)-c1csc2nc3c4ccccc4c(NCCCN4CCOCC4)nn3c(=O)c12
Show InChI InChI=1S/C27H27N5O2S/c1-18-7-9-19(10-8-18)22-17-35-26-23(22)27(33)32-25(29-26)21-6-3-2-5-20(21)24(30-32)28-11-4-12-31-13-15-34-16-14-31/h2-3,5-10,17H,4,11-16H2,1H3,(H,28,30)
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n/an/an/an/a 346n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47626
PNG
(MLS000625128 | N-[3-[5-(2-furanyl)-1,3,4-oxadiazol...)
Show SMILES O=C(Nc1cccc(c1)-c1nnc(o1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C19H13N3O3/c23-17(13-6-2-1-3-7-13)20-15-9-4-8-14(12-15)18-21-22-19(25-18)16-10-5-11-24-16/h1-12H,(H,20,23)
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n/an/an/an/a 4.08E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47635
PNG
((2Z)-2-[(1,6-dimethyl-2-quinolin-1-iumyl)methylide...)
Show SMILES CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1C
Show InChI InChI=1S/C23H21N2S2/c1-4-25-22(27-21-10-9-20-18(23(21)25)11-12-26-20)14-17-7-6-16-13-15(2)5-8-19(16)24(17)3/h5-14H,4H2,1-3H3/q+1
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n/an/an/an/a 2.10E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47642
PNG
(2-(2-thenylamino)pyridazino[6,1-b]quinazolin-10-on...)
Show SMILES O=c1c2ccccc2nc2ccc(NCc3cccs3)nn12
Show InChI InChI=1S/C16H12N4OS/c21-16-12-5-1-2-6-13(12)18-15-8-7-14(19-20(15)16)17-10-11-4-3-9-22-11/h1-9H,10H2,(H,17,19)
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n/an/an/an/a 6.79E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32323
PNG
(MLS000685782 | N-[3-(3-methyl-[1,2,4]triazolo[4,3-...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(NC(=O)c2ccco2)c1
Show InChI InChI=1S/C17H13N5O2/c1-11-19-20-16-8-7-14(21-22(11)16)12-4-2-5-13(10-12)18-17(23)15-6-3-9-24-15/h2-10H,1H3,(H,18,23)
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n/an/an/an/a 7.84E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM2434
PNG
(6-benzyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4...)
Show SMILES CSc1nc(Cc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C12H12N2OS/c1-16-12-13-10(8-11(15)14-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)
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n/an/an/an/a 3.13E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47657
PNG
((4-methoxyphenyl)-[(E)-2-[6-methyl-3-(methylthio)-...)
Show SMILES COc1ccc(cc1)N=CCc1nc(SC)nnc1C
Show InChI InChI=1S/C14H16N4OS/c1-10-13(16-14(20-3)18-17-10)8-9-15-11-4-6-12(19-2)7-5-11/h4-7,9H,8H2,1-3H3
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n/an/an/an/a 2.76E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM43204
PNG
(1-(2-cyano-4,5-dimethoxy-phenyl)-3-(2-methoxyethyl...)
Show SMILES COCCNC(=S)Nc1cc(OC)c(OC)cc1C#N
Show InChI InChI=1S/C13H17N3O3S/c1-17-5-4-15-13(20)16-10-7-12(19-3)11(18-2)6-9(10)8-14/h6-7H,4-5H2,1-3H3,(H2,15,16,20)
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n/an/an/an/a 4.90E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47660
PNG
(5-[(3-chlorobenzoyl)amino]-2-[(E)-2-(3,5-dimethyla...)
Show SMILES COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1CC=Nc1cc(C)cc(C)c1
Show InChI InChI=1S/C24H21ClN2O5/c1-14-9-15(2)11-18(10-14)26-8-7-21-19(23(29)31-3)13-20(24(30)32-21)27-22(28)16-5-4-6-17(25)12-16/h4-6,8-13H,7H2,1-3H3,(H,27,28)
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n/an/an/an/a 567n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32327
PNG
(4-amino-6,7-dimethoxy-3-(3-morpholin-4-ylpropyl)qu...)
Show SMILES COc1cc2nc(=S)n(CCCN3CCOCC3)c(N)c2cc1OC
Show InChI InChI=1S/C17H24N4O3S/c1-22-14-10-12-13(11-15(14)23-2)19-17(25)21(16(12)18)5-3-4-20-6-8-24-9-7-20/h10-11H,3-9,18H2,1-2H3
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n/an/an/an/a 1.10E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM46309
PNG
((1,1-diketo-1,2-benzothiazol-3-yl)-methyl-[(5-meth...)
Show SMILES CN(N=Cc1ccc(C)o1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O3S/c1-10-7-8-11(20-10)9-15-17(2)14-12-5-3-4-6-13(12)21(18,19)16-14/h3-9H,1-2H3
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n/an/an/an/a 7.42E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47671
PNG
(3-nitro-N'-[(1E)-quinoxalin-6-ylmethylene]benz...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc2nccnc2c1
Show InChI InChI=1S/C16H11N5O3/c22-16(12-2-1-3-13(9-12)21(23)24)20-19-10-11-4-5-14-15(8-11)18-7-6-17-14/h1-10H,(H,20,22)/b19-10+
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n/an/an/an/a 8.59E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47672
PNG
(5-(2-hydroxyethylamino)-8-quinazolino[2,3-a]phthal...)
Show SMILES OCCNc1nn2c(nc3ccccc3c2=O)c2ccccc12
Show InChI InChI=1S/C17H14N4O2/c22-10-9-18-15-11-5-1-2-6-12(11)16-19-14-8-4-3-7-13(14)17(23)21(16)20-15/h1-8,22H,9-10H2,(H,18,20)
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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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47680
PNG
(5-amino-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-y...)
Show SMILES COc1ccc(cc1OC)-c1csc(n1)-c1c(O)cn(C(C)C)c1N
Show InChI InChI=1S/C18H21N3O3S/c1-10(2)21-8-13(22)16(17(21)19)18-20-12(9-25-18)11-5-6-14(23-3)15(7-11)24-4/h5-10,22H,19H2,1-4H3
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n/an/an/an/a 8.73E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47683
PNG
(MLS000773982 | N-(2-chloranyl-5-piperidin-1-ylsulf...)
Show SMILES Oc1ccc(cc1)N1CCN(CC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C23H29ClN4O4S/c24-21-9-8-20(33(31,32)28-10-2-1-3-11-28)16-22(21)25-23(30)17-26-12-14-27(15-13-26)18-4-6-19(29)7-5-18/h4-9,16,29H,1-3,10-15,17H2,(H,25,30)
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n/an/an/an/a 1.91E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM44152
PNG
((E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrroli...)
Show SMILES OC(=O)CC\C(=C/c1ccc(N2CCCC2)c(c1)[N+]([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C22H21N3O4S/c26-21(27)10-8-16(22-23-17-5-1-2-6-20(17)30-22)13-15-7-9-18(19(14-15)25(28)29)24-11-3-4-12-24/h1-2,5-7,9,13-14H,3-4,8,10-12H2,(H,26,27)/b16-13+
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n/an/an/an/a 3.70E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47558
PNG
(3-[3-(4-fluorophenyl)-5-methyl-7-oxidanylidene-fur...)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
Show InChI InChI=1S/C21H15FO5/c1-11-14(6-7-20(23)24)21(25)27-19-9-18-16(8-15(11)19)17(10-26-18)12-2-4-13(22)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,23,24)
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n/an/an/an/a 7.05E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47562
PNG
(5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a...)
Show SMILES NC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C12H7F3N4O2/c13-12(14,15)9-4-6(8-2-1-3-21-8)17-10-5-7(11(16)20)18-19(9)10/h1-5H,(H2,16,20)
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n/an/an/an/a 1.59E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47565
PNG
(5-Propyl-1,2,3,4-tetrahydro-9H-7-oxa-6,9,11-triaza...)
Show SMILES CCCc1nc2oc3c([nH]cnc3=O)c2c2CCCCc12
Show InChI InChI=1S/C16H17N3O2/c1-2-5-11-9-6-3-4-7-10(9)12-13-14(21-16(12)19-11)15(20)18-8-17-13/h8H,2-7H2,1H3,(H,17,18,20)
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n/an/an/an/a 2.05E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM41672
PNG
(2-Amino-1-(3-morpholin-4-yl-propyl)-1H-pyrrolo[2,3...)
Show SMILES COc1ccccc1CNC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
Show InChI InChI=1S/C26H30N6O3/c1-34-21-10-5-2-7-18(21)17-28-26(33)22-23-25(30-20-9-4-3-8-19(20)29-23)32(24(22)27)12-6-11-31-13-15-35-16-14-31/h2-5,7-10H,6,11-17,27H2,1H3,(H,28,33)
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n/an/an/an/a 4.43E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47569
PNG
(2-(3-Ethoxy-phenylamino)-9,10-dimethoxy-6,7-dihydr...)
Show SMILES CCOc1cccc(Nc2cc3-c4cc(OC)c(OC)cc4CCn3c(=O)n2)c1
Show InChI InChI=1S/C22H23N3O4/c1-4-29-16-7-5-6-15(11-16)23-21-13-18-17-12-20(28-3)19(27-2)10-14(17)8-9-25(18)22(26)24-21/h5-7,10-13H,4,8-9H2,1-3H3,(H,23,24,26)
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n/an/an/an/a 6.45E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32287
PNG
((5E)-5-[[5-(2-chlorophenyl)-2-furanyl]methylidene]...)
Show SMILES Clc1ccccc1-c1ccc(\C=C2\SC(=S)N(CC3CCCO3)C2=O)o1
Show InChI InChI=1S/C19H16ClNO3S2/c20-15-6-2-1-5-14(15)16-8-7-12(24-16)10-17-18(22)21(19(25)26-17)11-13-4-3-9-23-13/h1-2,5-8,10,13H,3-4,9,11H2/b17-10+
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n/an/an/an/a 1.73E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47589
PNG
(1-Ethyl-6-fluoro-4-oxo-7-{N'-[1-phenyl-meth-(E...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N=NCc1ccccc1
Show InChI InChI=1S/C19H16FN3O3/c1-2-23-11-14(19(25)26)18(24)13-8-15(20)16(9-17(13)23)22-21-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,25,26)
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n/an/an/an/a 3.88E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47609
PNG
((3E)-2-amino-3-[(3-methoxyphenyl)hydrazinylidene]-...)
Show SMILES COc1cccc(c1)N=Nc1c(N)[nH]n2c1nc1CCCCc1c2=O
Show InChI InChI=1S/C17H18N6O2/c1-25-11-6-4-5-10(9-11)20-21-14-15(18)22-23-16(14)19-13-8-3-2-7-12(13)17(23)24/h4-6,9,22H,2-3,7-8,18H2,1H3
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n/an/an/an/a 1.22E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47611
PNG
(5-[(Z)-2-cyano-3-(4-hydroxyanilino)-3-keto-prop-1-...)
Show SMILES COc1ccc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C(O)=O
Show InChI InChI=1S/C18H14N2O5/c1-25-16-7-2-11(9-15(16)18(23)24)8-12(10-19)17(22)20-13-3-5-14(21)6-4-13/h2-9,21H,1H3,(H,20,22)(H,23,24)/b12-8-
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n/an/an/an/a 1.64E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47615
PNG
(2-N,5-N-bis(furan-2-ylmethylideneamino)furan-2,5-d...)
Show SMILES O=C(NN=Cc1ccco1)c1ccc(o1)C(=O)NN=Cc1ccco1
Show InChI InChI=1S/C16H12N4O5/c21-15(19-17-9-11-3-1-7-23-11)13-5-6-14(25-13)16(22)20-18-10-12-4-2-8-24-12/h1-10H,(H,19,21)(H,20,22)
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n/an/an/an/a 1.94E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47617
PNG
((4-methoxyphenyl)-[4-(2-methylimidazo[1,2-a]pyrimi...)
Show SMILES COc1ccc(Nc2nc(cs2)-c2c(C)nc3ncccn23)cc1
Show InChI InChI=1S/C17H15N5OS/c1-11-15(22-9-3-8-18-16(22)19-11)14-10-24-17(21-14)20-12-4-6-13(23-2)7-5-12/h3-10H,1-2H3,(H,20,21)
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n/an/an/an/a 8.39E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47619
PNG
(3-amino-2-(4-bromobenzoyl)-6-keto-7H-thieno[2,3-b]...)
Show SMILES CCOC(=O)c1cc2c(N)c(sc2[nH]c1=O)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrN2O4S/c1-2-24-17(23)11-7-10-12(19)14(25-16(10)20-15(11)22)13(21)8-3-5-9(18)6-4-8/h3-7H,2,19H2,1H3,(H,20,22)
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n/an/an/an/a 574n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47621
PNG
(3,6-bis(chloranyl)-N-[5-[(2-chlorophenyl)sulfamoyl...)
Show SMILES Oc1ccc(cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl)S(=O)(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C21H13Cl3N2O4S2/c22-11-5-7-13-18(9-11)31-20(19(13)24)21(28)25-16-10-12(6-8-17(16)27)32(29,30)26-15-4-2-1-3-14(15)23/h1-10,26-27H,(H,25,28)
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n/an/an/an/a 3.66E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47622
PNG
(4-(3-bromophenyl)-6-(2-furanyl)-2-oxo-1H-pyridine-...)
Show SMILES Brc1cccc(c1)-c1cc([nH]c(=O)c1C#N)-c1ccco1
Show InChI InChI=1S/C16H9BrN2O2/c17-11-4-1-3-10(7-11)12-8-14(15-5-2-6-21-15)19-16(20)13(12)9-18/h1-8H,(H,19,20)
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n/an/an/an/a 4.93E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47628
PNG
(2-amino-4-(3,4-dimethoxyphenyl)-6-(4-ketocyclohexa...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C20H17N3O3/c1-25-18-8-5-13(9-19(18)26-2)15-10-17(23-20(22)16(15)11-21)12-3-6-14(24)7-4-12/h3-10,24H,1-2H3,(H2,22,23)
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n/an/an/an/a 1.15E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47667
PNG
(6-(4-methoxyphenyl)-3-(4-methylbenzoyl)-1H-pyridaz...)
Show SMILES COc1ccc(cc1)-c1cc(O)c(nn1)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H16N2O3/c1-12-3-5-14(6-4-12)19(23)18-17(22)11-16(20-21-18)13-7-9-15(24-2)10-8-13/h3-11H,1-2H3,(H,20,22)
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n/an/an/an/a 4.09E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47684
PNG
(MLS000776401 | N-(1H-benzimidazol-2-yl)-4-methoxy-...)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H20N4O5S/c1-27-16-7-6-13(12-17(16)29(25,26)23-8-10-28-11-9-23)18(24)22-19-20-14-4-2-3-5-15(14)21-19/h2-7,12H,8-11H2,1H3,(H2,20,21,22,24)
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n/an/an/an/a 3.27E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47686
PNG
((4E)-2-methoxy-4-[[(6-methyl-1-phenyl-4-pyrazolo[3...)
Show SMILES COc1cc(CN=Nc2nc(C)nc3n(ncc23)-c2ccccc2)ccc1O
Show InChI InChI=1S/C20H18N6O2/c1-13-23-19(25-21-11-14-8-9-17(27)18(10-14)28-2)16-12-22-26(20(16)24-13)15-6-4-3-5-7-15/h3-10,12,27H,11H2,1-2H3
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n/an/an/an/a 638n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47552
PNG
(2-[2-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-2-...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2ncccc2C(O)=O)cc1
Show InChI InChI=1S/C21H25N3O5S2/c1-2-16-6-3-4-13-24(16)31(28,29)17-10-8-15(9-11-17)23-19(25)14-30-20-18(21(26)27)7-5-12-22-20/h5,7-12,16H,2-4,6,13-14H2,1H3,(H,23,25)(H,26,27)
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n/an/an/an/a 1.07E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47554
PNG
(3-(3-methylphenyl)sulfonyl-1-(3-pyridinylmethylide...)
Show SMILES Cc1cccc(c1)S(=O)(=O)c1c(N)n(N=Cc2cccnc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H18N6O2S/c1-15-6-4-8-17(12-15)32(30,31)21-20-23(28-19-10-3-2-9-18(19)27-20)29(22(21)24)26-14-16-7-5-11-25-13-16/h2-14H,24H2,1H3
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n/an/an/an/a 3.42E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32268
PNG
(6,7-dimethoxy-4-(3-methoxypropylamino)-1H-quinazol...)
Show SMILES COCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C14H19N3O3S/c1-18-6-4-5-15-13-9-7-11(19-2)12(20-3)8-10(9)16-14(21)17-13/h7-8H,4-6H2,1-3H3,(H2,15,16,17,21)
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n/an/an/an/a 1.52E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47564
PNG
((E)-2-(4-bromophenyl)-3-(2,5-dimethoxy-4-pyrrolidi...)
Show SMILES COc1cc(N2CCCC2)c(OC)cc1\C=C(\C#N)c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O2/c1-25-20-13-19(24-9-3-4-10-24)21(26-2)12-16(20)11-17(14-23)15-5-7-18(22)8-6-15/h5-8,11-13H,3-4,9-10H2,1-2H3/b17-11-
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n/an/an/an/a 74.5n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47567
PNG
(MLS000533951 | SMR000141388 | [3-amino-6-(2-thieny...)
Show SMILES Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(=O)C1CC1
Show InChI InChI=1S/C16H11F3N2OS2/c17-16(18,19)8-6-9(10-2-1-5-23-10)21-15-11(8)12(20)14(24-15)13(22)7-3-4-7/h1-2,5-7H,3-4,20H2
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n/an/an/an/a 1.93E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47575
PNG
(4-Chloro-benzoic acid 2,6-dibromo-4-(morpholine-4-...)
Show SMILES Clc1ccc(cc1)C(=O)Oc1c(Br)cc(cc1Br)C(=S)N1CCOCC1
Show InChI InChI=1S/C18H14Br2ClNO3S/c19-14-9-12(17(26)22-5-7-24-8-6-22)10-15(20)16(14)25-18(23)11-1-3-13(21)4-2-11/h1-4,9-10H,5-8H2
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n/an/an/an/a 2.97E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47577
PNG
((5Z)-3-ethyl-2-sulfanylidene-5-[(1,2,5-trimethyl-3...)
Show SMILES CCN1C(=S)S\C(=C/c2cc(C)n(C)c2C)C1=O
Show InChI InChI=1S/C13H16N2OS2/c1-5-15-12(16)11(18-13(15)17)7-10-6-8(2)14(4)9(10)3/h6-7H,5H2,1-4H3/b11-7-
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n/an/an/an/a 2.67E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47583
PNG
(1-Ethyl-6-fluoro-7-[N'-(2-nitro-benzylidene)-h...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N=NCc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C19H15FN4O5/c1-2-23-10-13(19(26)27)18(25)12-7-14(20)15(8-17(12)23)22-21-9-11-5-3-4-6-16(11)24(28)29/h3-8,10H,2,9H2,1H3,(H,26,27)
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n/an/an/an/a 2.67E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47592
PNG
(1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(3-fluoroph...)
Show SMILES Fc1cccc(c1)-c1nnc2ccc(SCC(=O)N3CCCc4ccccc34)nn12
Show InChI InChI=1S/C22H18FN5OS/c23-17-8-3-6-16(13-17)22-25-24-19-10-11-20(26-28(19)22)30-14-21(29)27-12-4-7-15-5-1-2-9-18(15)27/h1-3,5-6,8-11,13H,4,7,12,14H2
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n/an/an/an/a 160n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47593
PNG
(MLS000587449 | N-[1-Benzo[1,3]dioxol-5-ylmethyl-2-...)
Show SMILES O=C(CNC(=O)Cc1ccccc1)N\N=C1/C(=O)N(Cc2ccc3OCOc3c2)c2ccccc12
Show InChI InChI=1S/C26H22N4O5/c31-23(13-17-6-2-1-3-7-17)27-14-24(32)28-29-25-19-8-4-5-9-20(19)30(26(25)33)15-18-10-11-21-22(12-18)35-16-34-21/h1-12H,13-16H2,(H,27,31)(H,28,32)/b29-25-
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n/an/an/an/a 1.20E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47594
PNG
(2-(3,4-diethoxyphenyl)ethyl-(3-phenyl-[1,2,4]triaz...)
Show SMILES CCOc1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1OCC
Show InChI InChI=1S/C23H25N5O2/c1-3-29-19-11-10-17(16-20(19)30-4-2)14-15-24-21-12-13-22-25-26-23(28(22)27-21)18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,27)
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n/an/an/an/a 2.29E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47597
PNG
(MLS000591719 | N-(12-Cyano-indolizino[2,3-b]quinox...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
Show InChI InChI=1S/C22H12FN5O/c23-14-7-5-13(6-8-14)22(29)25-15-9-10-19-16(11-24)20-21(28(19)12-15)27-18-4-2-1-3-17(18)26-20/h1-10,12H,(H,25,29)
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n/an/an/an/a 950n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47603
PNG
((5E)-2-(4-hydroxyanilino)-5-(4-hydroxy-3,5-dimetho...)
Show SMILES COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc(OC)c1O
Show InChI InChI=1S/C18H16N2O5S/c1-24-13-7-10(8-14(25-2)16(13)22)9-15-17(23)20-18(26-15)19-11-3-5-12(21)6-4-11/h3-9,21-22H,1-2H3,(H,19,20,23)
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n/an/an/an/a 974n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47605
PNG
((6E)-4-benzyl-6-[(2-hydroxy-5-methyl-anilino)methy...)
Show SMILES Cc1ccc(O)c(c1)\[NH+]=C\c1c[c-](Cc2ccccc2)cc([N+]([O-])=O)c1=O
Show InChI InChI=1S/C21H17N2O4/c1-14-7-8-20(24)18(9-14)22-13-17-11-16(10-15-5-3-2-4-6-15)12-19(21(17)25)23(26)27/h2-9,11-13,24H,10H2,1H3/q-1/p+1/b22-13+
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n/an/an/an/a 8.29E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32322
PNG
(2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin...)
Show SMILES O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1nccs1
Show InChI InChI=1S/C15H11N7OS2/c23-12(18-15-17-7-8-24-15)9-25-13-5-4-11-19-20-14(22(11)21-13)10-3-1-2-6-16-10/h1-8H,9H2,(H,17,18,23)
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n/an/an/an/a 1.30E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47651
PNG
(1-(1-pyrrolidinyl)-2-[(3-thiophen-2-yl-[1,2,4]tria...)
Show SMILES O=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCCC1
Show InChI InChI=1S/C15H15N5OS2/c21-14(19-7-1-2-8-19)10-23-13-6-5-12-16-17-15(20(12)18-13)11-4-3-9-22-11/h3-6,9H,1-2,7-8,10H2
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n/an/an/an/a 1.30E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47653
PNG
(2-amino-1-[(2,4-dichlorobenzoyl)amino]-6-keto-pyri...)
Show SMILES CCOC(=O)c1cc(C(=O)OCC)c(=O)n(NC(=O)c2ccc(Cl)cc2Cl)c1N
Show InChI InChI=1S/C18H17Cl2N3O6/c1-3-28-17(26)11-8-12(18(27)29-4-2)16(25)23(14(11)21)22-15(24)10-6-5-9(19)7-13(10)20/h5-8H,3-4,21H2,1-2H3,(H,22,24)
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n/an/an/an/a 9.03E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32325
PNG
(1-(3-chlorophenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl...)
Show SMILES Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C16H12ClN5O/c17-12-4-1-5-13(9-12)20-16(23)22-14-6-8-19-15(21-14)11-3-2-7-18-10-11/h1-10H,(H2,19,20,21,22,23)
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n/an/an/an/a 499n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47659
PNG
(4-(4-tert-butylphenyl)-2-(4-chlorophenyl)sulfanyl-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CC(Sc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C20H21ClO3S/c1-20(2,3)14-6-4-13(5-7-14)17(22)12-18(19(23)24)25-16-10-8-15(21)9-11-16/h4-11,18H,12H2,1-3H3,(H,23,24)
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n/an/an/an/a 3.51E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47669
PNG
(3-(2-{(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidi...)
Show SMILES OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H14ClN3O4/c22-14-6-8-15(9-7-14)25-19(26)18(23-21(25)29)12-17-5-2-10-24(17)16-4-1-3-13(11-16)20(27)28/h1-12H,(H,23,29)(H,27,28)
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n/an/an/an/a 2.25E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47689
PNG
(MLS000774150 | N'-[(E)-(3-ethoxy-4-keto-cyclohexa-...)
Show SMILES CCOc1cc(C=NNC(=O)c2cc(nc3ccccc23)-c2cccnc2)ccc1O
Show InChI InChI=1S/C24H20N4O3/c1-2-31-23-12-16(9-10-22(23)29)14-26-28-24(30)19-13-21(17-6-5-11-25-15-17)27-20-8-4-3-7-18(19)20/h3-15,29H,2H2,1H3,(H,28,30)
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n/an/an/an/a 8.65E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47692
PNG
(1-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]-3-pr...)
Show SMILES CC(C)NC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C12H13N5O3S/c1-6(2)13-12(21)16-15-10-8-5-7(17(19)20)3-4-9(8)14-11(10)18/h3-6H,1-2H3,(H3,13,14,15,16,18,21)
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n/an/an/an/a 1.43E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM38573
PNG
(9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihy...)
Show SMILES COc1cc2CCn3c(cc(NCc4ccccn4)nc3=O)-c2cc1OC
Show InChI InChI=1S/C20H20N4O3/c1-26-17-9-13-6-8-24-16(15(13)10-18(17)27-2)11-19(23-20(24)25)22-12-14-5-3-4-7-21-14/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,22,23,25)
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n/an/an/an/a 1.96E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47566
PNG
(MLS000519937 | SMR000130352 | cid_4169684)
Show SMILES O=C(NCc1cccnc1)c1cccn2c1nc1ccsc1c2=O
Show InChI InChI=1S/C17H12N4O2S/c22-16(19-10-11-3-1-6-18-9-11)12-4-2-7-21-15(12)20-13-5-8-24-14(13)17(21)23/h1-9H,10H2,(H,19,22)
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n/an/an/an/a 2.52E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47573
PNG
((5Z)-5-(2,5-dimethoxy-4-pyrrolidino-benzylidene)-3...)
Show SMILES COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1cc(OC)c(cc1OC)N1CCCC1
Show InChI InChI=1S/C25H29N3O4S/c1-30-14-13-28-24(29)23(33-25(28)26-19-9-5-4-6-10-19)16-18-15-22(32-3)20(17-21(18)31-2)27-11-7-8-12-27/h4-6,9-10,15-17H,7-8,11-14H2,1-3H3/b23-16-,26-25+
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n/an/an/an/a 1.39E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47578
PNG
(2-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydraz...)
Show SMILES Oc1ccc(CN=Nc2nc3ccccc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C15H12N4O2/c20-11-7-5-10(6-8-11)9-16-19-15-17-13-4-2-1-3-12(13)14(21)18-15/h1-8,20H,9H2,(H,17,18,21)
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n/an/an/an/a 7.68E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47579
PNG
((4-{[4-(Benzyl-methanesulfonyl-amino)-benzoyl]-hyd...)
Show SMILES COC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)N(Cc2ccccc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C25H25N3O6S/c1-33-24(29)18-34-23-14-8-19(9-15-23)16-26-27-25(30)21-10-12-22(13-11-21)28(35(2,31)32)17-20-6-4-3-5-7-20/h3-16H,17-18H2,1-2H3,(H,27,30)
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n/an/an/an/a 4.09E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47580
PNG
((2E)-2-(5-ethoxy-1-methyl-2-oxo-1,2-dihydro-3H-ind...)
Show SMILES CCOc1ccc2N(C)C(=O)C(=NN=C(N)N)c2c1
Show InChI InChI=1S/C12H15N5O2/c1-3-19-7-4-5-9-8(6-7)10(11(18)17(9)2)15-16-12(13)14/h4-6H,3H2,1-2H3,(H4,13,14,16)
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n/an/an/an/a 2.56E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47581
PNG
((3Z)-3-(1-methyl-5-oxidanylidene-2-sulfanylidene-i...)
Show SMILES CN1C(=S)N\C(C1=O)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C12H9N3O2S/c1-15-11(17)9(14-12(15)18)8-6-4-2-3-5-7(6)13-10(8)16/h2-5H,1H3,(H,13,16)(H,14,18)/b9-8-
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n/an/an/an/a 1.34E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47598
PNG
(1-[[5,6-bis(fluoranyl)-2-oxidanylidene-indol-3-yl]...)
Show SMILES NC(=S)NNC1=c2cc(F)c(F)cc2=NC1=O
Show InChI InChI=1S/C9H6F2N4OS/c10-4-1-3-6(2-5(4)11)13-8(16)7(3)14-15-9(12)17/h1-2H,(H3,12,15,17)(H,13,14,16)
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n/an/an/an/a 1.56E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47613
PNG
(2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-N'-[(...)
Show SMILES COc1ccc2nc(C)cc(SCC(=O)NN=Cc3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C20H19N3O4S/c1-12-7-19(15-9-14(27-2)4-5-16(15)22-12)28-11-20(26)23-21-10-13-3-6-17(24)18(25)8-13/h3-10,24-25H,11H2,1-2H3,(H,23,26)
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n/an/an/an/a 1.57E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32318
PNG
(4-[[4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-2-thi...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H13N5OS/c1-10-14(21-8-2-7-17-15(21)18-10)13-9-23-16(20-13)19-11-3-5-12(22)6-4-11/h2-9,22H,1H3,(H,19,20)
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n/an/an/an/a 265n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47625
PNG
(1-(7-methoxy-4-methyl-2-quinazolinyl)-2-(4-methylp...)
Show SMILES COc1ccc2c(C)nc(N=C(N)NS(=O)(=O)c3ccc(C)cc3)nc2c1
Show InChI InChI=1S/C18H19N5O3S/c1-11-4-7-14(8-5-11)27(24,25)23-17(19)22-18-20-12(2)15-9-6-13(26-3)10-16(15)21-18/h4-10H,1-3H3,(H3,19,20,21,22,23)
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n/an/an/an/a 7.51E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47627
PNG
((5Z)-3-(2-methoxyethyl)-5-(2-methyl-4-pyrrolidino-...)
Show SMILES COCCN1C(=S)S\C(=C/c2ccc(cc2C)N2CCCC2)C1=O
Show InChI InChI=1S/C18H22N2O2S2/c1-13-11-15(19-7-3-4-8-19)6-5-14(13)12-16-17(21)20(9-10-22-2)18(23)24-16/h5-6,11-12H,3-4,7-10H2,1-2H3/b16-12-
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n/an/an/an/a 1.69E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47631
PNG
(MLS000765439 | N-(3,4-dimethoxyphenyl)-7-methyl-5-...)
Show SMILES COc1ccc(NC(=O)c2cc3nc(cc(C)n3n2)-c2ccccc2)cc1OC
Show InChI InChI=1S/C22H20N4O3/c1-14-11-17(15-7-5-4-6-8-15)24-21-13-18(25-26(14)21)22(27)23-16-9-10-19(28-2)20(12-16)29-3/h4-13H,1-3H3,(H,23,27)
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n/an/an/an/a 2.85E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47636
PNG
(3-isopropyl-1-(2-pyridylmethylamino)pyrido[1,2-a]b...)
Show SMILES CC(C)c1cc(NCc2ccccn2)n2c(nc3ccccc23)c1C#N
Show InChI InChI=1S/C21H19N5/c1-14(2)16-11-20(24-13-15-7-5-6-10-23-15)26-19-9-4-3-8-18(19)25-21(26)17(16)12-22/h3-11,14,24H,13H2,1-2H3
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n/an/an/an/a 2.82E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47655
PNG
(2-keto-6-pyrrolidino-1H-pyridine-3,5-dicarboxylic ...)
Show SMILES CCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1N1CCCC1
Show InChI InChI=1S/C15H20N2O5/c1-3-21-14(19)10-9-11(15(20)22-4-2)13(18)16-12(10)17-7-5-6-8-17/h9H,3-8H2,1-2H3,(H,16,18)
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n/an/an/an/a 3.59E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47662
PNG
(MLS000622002 | N-cyclohexyl-2-[4-[(2-sulfanylidene...)
Show SMILES O=C(Cc1ccc(Nc2[nH]c(=S)nc3ccccc23)cc1)NC1CCCCC1
Show InChI InChI=1S/C22H24N4OS/c27-20(23-16-6-2-1-3-7-16)14-15-10-12-17(13-11-15)24-21-18-8-4-5-9-19(18)25-22(28)26-21/h4-5,8-13,16H,1-3,6-7,14H2,(H,23,27)(H2,24,25,26,28)
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n/an/an/an/a 6.65E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47675
PNG
(5-(3-pyridinylmethylamino)-8-quinazolino[2,3-a]pht...)
Show SMILES O=c1c2ccccc2nc2c3ccccc3c(NCc3cccnc3)nn12
Show InChI InChI=1S/C21H15N5O/c27-21-17-9-3-4-10-18(17)24-20-16-8-2-1-7-15(16)19(25-26(20)21)23-13-14-6-5-11-22-12-14/h1-12H,13H2,(H,23,25)
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n/an/an/an/a 348n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47676
PNG
((4E)-4-[[4-[ethyl(isopropyl)amino]anilino]methylen...)
Show SMILES CCN(C(C)C)c1ccc(NC=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C29H31N3O3/c1-5-31(20(2)3)23-14-12-22(13-15-23)30-18-27-25-8-6-7-9-26(25)28(33)32(29(27)34)19-21-10-16-24(35-4)17-11-21/h6-18,20,30H,5,19H2,1-4H3
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n/an/an/an/a 249n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47687
PNG
(4-[[(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidiny...)
Show SMILES Cc1nc(N=NCc2ccc(O)cc2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C19H16N6O/c1-13-22-18(24-20-11-14-7-9-16(26)10-8-14)17-12-21-25(19(17)23-13)15-5-3-2-4-6-15/h2-10,12,26H,11H2,1H3
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n/an/an/an/a 3.58E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47557
PNG
(2-(cyclooctylamino)-9,10-dimethoxy-6,7-dihydropyri...)
Show SMILES COc1cc2CCn3c(cc(NC4CCCCCCC4)nc3=O)-c2cc1OC
Show InChI InChI=1S/C22H29N3O3/c1-27-19-12-15-10-11-25-18(17(15)13-20(19)28-2)14-21(24-22(25)26)23-16-8-6-4-3-5-7-9-16/h12-14,16H,3-11H2,1-2H3,(H,23,24,26)
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n/an/an/an/a 2.05E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47560
PNG
(1-(2-furanylmethyl)-N-[2-(methylthio)-1,3-benzothi...)
Show SMILES CSc1nc2ccc(NC(=O)C3CN(Cc4ccco4)C(=O)C3)cc2s1
Show InChI InChI=1S/C18H17N3O3S2/c1-25-18-20-14-5-4-12(8-15(14)26-18)19-17(23)11-7-16(22)21(9-11)10-13-3-2-6-24-13/h2-6,8,11H,7,9-10H2,1H3,(H,19,23)
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n/an/an/an/a 4.69E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM39554
PNG
(2-(2-furanylmethylamino)-10-pyridazino[6,1-b]quina...)
Show SMILES O=c1c2ccccc2nc2ccc(NCc3ccco3)nn12
Show InChI InChI=1S/C16H12N4O2/c21-16-12-5-1-2-6-13(12)18-15-8-7-14(19-20(15)16)17-10-11-4-3-9-22-11/h1-9H,10H2,(H,17,19)
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n/an/an/an/a 5.08E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47561
PNG
(1-[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]-1H...)
Show SMILES O=C(Cn1ccc2ccc(cc12)C#N)N1CCCc2ccccc12
Show InChI InChI=1S/C20H17N3O/c21-13-15-7-8-17-9-11-22(19(17)12-15)14-20(24)23-10-3-5-16-4-1-2-6-18(16)23/h1-2,4,6-9,11-12H,3,5,10,14H2
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n/an/an/an/a 2.40E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47570
PNG
((1Z)-1-[[2-[4-(1H-imidazol-2-yl)phthalazin-1-yl]hy...)
Show SMILES Oc1ccc2ccccc2c1CN=Nc1nnc(-c2ncc[nH]2)c2ccccc12
Show InChI InChI=1S/C22H16N6O/c29-19-10-9-14-5-1-2-6-15(14)18(19)13-25-27-21-17-8-4-3-7-16(17)20(26-28-21)22-23-11-12-24-22/h1-12,29H,13H2,(H,23,24)
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n/an/an/an/a 1.96E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47576
PNG
((5Z)-3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(o2)N2CCOCC2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H28N4O4S/c1-35-22-8-6-21(7-9-22)31-29-33(13-12-20-19-30-25-5-3-2-4-24(20)25)28(34)26(38-29)18-23-10-11-27(37-23)32-14-16-36-17-15-32/h2-11,18-19,30H,12-17H2,1H3/b26-18-,31-29-
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n/an/an/an/a 26.9n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47582
PNG
(2-Chloro-N-{5-[1-(1-methyl-1H-pyrrol-2-yl)-meth-(Z...)
Show SMILES Cn1cccc1\C=C1/SC(=S)N(NC(=O)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C16H12ClN3O2S2/c1-19-8-4-5-10(19)9-13-15(22)20(16(23)24-13)18-14(21)11-6-2-3-7-12(11)17/h2-9H,1H3,(H,18,21)/b13-9-
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n/an/an/an/a 5.17E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47590
PNG
(4-[[(6-bromanyl-4-phenyl-quinazolin-2-yl)amino]car...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1
Show InChI InChI=1S/C23H20BrN5O3S/c1-29(2)33(31,32)18-11-8-16(9-12-18)22(30)27-28-23-25-20-13-10-17(24)14-19(20)21(26-23)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,30)(H,25,26,28)
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n/an/an/an/a 4.90E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47602
PNG
((5E)-1-(3,5-dimethylphenyl)-5-[(E)-3-(2-furanyl)pr...)
Show SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O
Show InChI InChI=1S/C19H16N2O4/c1-12-9-13(2)11-14(10-12)21-18(23)16(17(22)20-19(21)24)7-3-5-15-6-4-8-25-15/h3-11H,1-2H3,(H,20,22,24)
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n/an/an/an/a 4.38E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47614
PNG
(MLS000693331 | N-(3-hydroxyphenyl)-4-(2-phenylsulf...)
Show SMILES Oc1cccc(NC(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)c1
Show InChI InChI=1S/C21H18N2O3S/c24-18-6-4-5-17(13-18)23-21(26)15-9-11-16(12-10-15)22-20(25)14-27-19-7-2-1-3-8-19/h1-13,24H,14H2,(H,22,25)(H,23,26)
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n/an/an/an/a 1.90E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32317
PNG
(2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-N'-[(...)
Show SMILES COc1cccc2c(SCC(=O)NN=Cc3ccc(O)cc3O)cc(C)nc12
Show InChI InChI=1S/C20H19N3O4S/c1-12-8-18(15-4-3-5-17(27-2)20(15)22-12)28-11-19(26)23-21-10-13-6-7-14(24)9-16(13)25/h3-10,24-25H,11H2,1-2H3,(H,23,26)
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n/an/an/an/a 4.54E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47634
PNG
(5-chloranylquinazolino[2,3-a]phthalazin-8-one | 5-...)
Show SMILES Clc1nn2c(nc3ccccc3c2=O)c2ccccc12
Show InChI InChI=1S/C15H8ClN3O/c16-13-9-5-1-2-6-10(9)14-17-12-8-4-3-7-11(12)15(20)19(14)18-13/h1-8H
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n/an/an/an/a 2.04E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM46296
PNG
((2-methoxyphenyl)-[4-(2-methylimidazo[1,2-a]pyrimi...)
Show SMILES COc1ccccc1Nc1nc(cs1)-c1c(C)nc2ncccn12
Show InChI InChI=1S/C17H15N5OS/c1-11-15(22-9-5-8-18-16(22)19-11)13-10-24-17(21-13)20-12-6-3-4-7-14(12)23-2/h3-10H,1-2H3,(H,20,21)
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n/an/an/an/a 1.22E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47638
PNG
(MLS000723505 | N'-((1E)-{3-[(4-bromo-5-methyl-...)
Show SMILES COc1ccc([CH+][N-]NC(=O)c2ccncc2)cc1Cn1nc(c(Br)c1C)[N+]([O-])=O
Show InChI InChI=1S/C19H17BrN6O4/c1-12-17(20)18(26(28)29)24-25(12)11-15-9-13(3-4-16(15)30-2)10-22-23-19(27)14-5-7-21-8-6-14/h3-10H,11H2,1-2H3,(H-,21,22,23,27)
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n/an/an/an/a 9.23E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47639
PNG
(MLS000728818 | N-{4-[(3-methyl-2,7-dioxo-2,7-dihyd...)
Show SMILES CC(=O)Nc1ccc(Nc2ccc3n(C)c(=O)cc4-c5ccccc5C(=O)c2c34)cc1
Show InChI InChI=1S/C25H19N3O3/c1-14(29)26-15-7-9-16(10-8-15)27-20-11-12-21-23-19(13-22(30)28(21)2)17-5-3-4-6-18(17)25(31)24(20)23/h3-13,27H,1-2H3,(H,26,29)
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n/an/an/an/a 151n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47641
PNG
(10-oxo-N-(thien-2-ylmethyl)-10H-pyrido[1,2-a]thien...)
Show SMILES O=C(NCc1cccs1)c1cccn2c1nc1ccsc1c2=O
Show InChI InChI=1S/C16H11N3O2S2/c20-15(17-9-10-3-2-7-22-10)11-4-1-6-19-14(11)18-12-5-8-23-13(12)16(19)21/h1-8H,9H2,(H,17,20)
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n/an/an/an/a 664n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47647
PNG
(5-bromo-2-furaldehyde (1,1-dioxido-1,2-benzisothia...)
Show SMILES CN(N=Cc1ccc(Br)o1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C13H10BrN3O3S/c1-17(15-8-9-6-7-12(14)20-9)13-10-4-2-3-5-11(10)21(18,19)16-13/h2-8H,1H3
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n/an/an/an/a 184n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47649
PNG
(4-[2,5-dimethyl-3-[(1-oxidanylidene-[1,3]thiazolo[...)
Show SMILES Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H17N3O3S/c1-13-11-16(14(2)25(13)17-9-7-15(8-10-17)22(28)29)12-20-21(27)26-19-6-4-3-5-18(19)24-23(26)30-20/h3-12H,1-2H3,(H,28,29)
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n/an/an/an/a 4.75E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32321
PNG
(2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin...)
Show SMILES O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1nccs1
Show InChI InChI=1S/C15H11N7OS2/c23-12(18-15-17-7-8-24-15)9-25-13-2-1-11-19-20-14(22(11)21-13)10-3-5-16-6-4-10/h1-8H,9H2,(H,17,18,23)
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n/an/an/an/a 3.51E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47650
PNG
(2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-y...)
Show SMILES CCOc1ccccc1C(=O)Nc1cccc(c1)-c1ccc2nncn2n1
Show InChI InChI=1S/C20H17N5O2/c1-2-27-18-9-4-3-8-16(18)20(26)22-15-7-5-6-14(12-15)17-10-11-19-23-21-13-25(19)24-17/h3-13H,2H2,1H3,(H,22,26)
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n/an/an/an/a 1.96E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47652
PNG
(1-[[5,7-bis(bromanyl)-2-oxidanylidene-indol-3-yl]a...)
Show SMILES NC(=S)NNC1=c2cc(Br)cc(Br)c2=NC1=O
Show InChI InChI=1S/C9H6Br2N4OS/c10-3-1-4-6(5(11)2-3)13-8(16)7(4)14-15-9(12)17/h1-2H,(H3,12,15,17)(H,13,14,16)
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n/an/an/an/a 6.91E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47665
PNG
(MLS000871726 | N-[4-[(6,7-dimethoxy-2-sulfanyliden...)
Show SMILES COc1cc2nc(=S)[nH]c(Nc3ccc(NC(C)=O)cc3)c2cc1OC
Show InChI InChI=1S/C18H18N4O3S/c1-10(23)19-11-4-6-12(7-5-11)20-17-13-8-15(24-2)16(25-3)9-14(13)21-18(26)22-17/h4-9H,1-3H3,(H,19,23)(H2,20,21,22,26)
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n/an/an/an/a 2.91E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47666
PNG
(5-[5-[(1-ketothiazolo[3,2-a]benzimidazol-2-ylidene...)
Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1)C(O)=O
Show InChI InChI=1S/C22H12N2O6S/c25-19-18(31-22-23-15-3-1-2-4-16(15)24(19)22)10-14-5-6-17(30-14)11-7-12(20(26)27)9-13(8-11)21(28)29/h1-10H,(H,26,27)(H,28,29)
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n/an/an/an/a 1.19E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47682
PNG
(MLS000516682 | N-[[4-(3,4-dimethoxyphenyl)-1,3-thi...)
Show SMILES COc1ccc(cc1OC)-c1csc(NC(=S)NC(=O)c2cccs2)n1
Show InChI InChI=1S/C17H15N3O3S3/c1-22-12-6-5-10(8-13(12)23-2)11-9-26-17(18-11)20-16(24)19-15(21)14-4-3-7-25-14/h3-9H,1-2H3,(H2,18,19,20,21,24)
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n/an/an/an/a 1.33E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47685
PNG
(MLS001002358 | N-(2-methoxy-5-morpholin-4-ylsulfon...)
Show SMILES COc1ccc(cc1NC(=O)COc1cccnc1[N+]([O-])=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H20N4O8S/c1-28-15-5-4-13(31(26,27)21-7-9-29-10-8-21)11-14(15)20-17(23)12-30-16-3-2-6-19-18(16)22(24)25/h2-6,11H,7-10,12H2,1H3,(H,20,23)
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n/an/an/an/a 6.40E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM42286
PNG
(5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-me...)
Show SMILES COc1ccc(OC)c(Nc2nc(cs2)-c2sc(N)nc2C)c1
Show InChI InChI=1S/C15H16N4O2S2/c1-8-13(23-14(16)17-8)11-7-22-15(19-11)18-10-6-9(20-2)4-5-12(10)21-3/h4-7H,1-3H3,(H2,16,17)(H,18,19)
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n/an/an/an/a 2.69E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47555
PNG
(3-[(2-amino-3-thiophen-2-ylsulfonyl-1-pyrrolo[3,2-...)
Show SMILES Nc1c(c2nc3ccccc3nc2n1N=Cc1cccc(O)c1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C21H15N5O3S2/c22-20-19(31(28,29)17-9-4-10-30-17)18-21(25-16-8-2-1-7-15(16)24-18)26(20)23-12-13-5-3-6-14(27)11-13/h1-12,27H,22H2
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n/an/an/an/a 355n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM44483
PNG
((5Z)-3-butan-2-yl-5-[[9-methyl-4-oxidanylidene-2-(...)
Show SMILES CCC(C)N1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
Show InChI InChI=1S/C23H30N4O3S2/c1-6-16(5)27-22(29)18(32-23(27)31)13-17-19(24-10-8-12-30-14(2)3)25-20-15(4)9-7-11-26(20)21(17)28/h7,9,11,13-14,16,24H,6,8,10,12H2,1-5H3/b18-13-
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n/an/an/an/a 202n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47572
PNG
((5Z)-5-(2,5-dimethoxy-4-pyrrolidino-benzylidene)-3...)
Show SMILES COCCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1cc(OC)c(cc1OC)N1CCCC1
Show InChI InChI=1S/C26H31N3O4S/c1-31-15-9-14-29-25(30)24(34-26(29)27-20-10-5-4-6-11-20)17-19-16-23(33-3)21(18-22(19)32-2)28-12-7-8-13-28/h4-6,10-11,16-18H,7-9,12-15H2,1-3H3/b24-17-,27-26+
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n/an/an/an/a 110n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47574
PNG
((5Z)-3-[2-(1H-indol-3-yl)ethyl]-5-[(5-morpholin-4-...)
Show SMILES O=C1N(CCc2c[nH]c3ccccc23)\C(S\C1=C/c1ccc(o1)N1CCOCC1)=N\c1ccccc1
Show InChI InChI=1S/C28H26N4O3S/c33-27-25(18-22-10-11-26(35-22)31-14-16-34-17-15-31)36-28(30-21-6-2-1-3-7-21)32(27)13-12-20-19-29-24-9-5-4-8-23(20)24/h1-11,18-19,29H,12-17H2/b25-18-,30-28-
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n/an/an/an/a 69.7n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM34751
PNG
(2,6,7-trihydroxy-9-(2,4,5-trimethoxyphenyl)-3-xant...)
Show SMILES COc1cc(OC)c(cc1OC)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C22H18O8/c1-27-17-9-21(29-3)20(28-2)6-12(17)22-10-4-13(23)15(25)7-18(10)30-19-8-16(26)14(24)5-11(19)22/h4-9,23-25H,1-3H3
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n/an/an/an/a 258n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32293
PNG
(9-Hydroxy-5H-5,8,12a-triaza-benzo[c]phenanthrene-6...)
Show SMILES Oc1cccn2c1nc(=O)c1c2c2ccccc2[nH]c1=O
Show InChI InChI=1S/C15H9N3O3/c19-10-6-3-7-18-12-8-4-1-2-5-9(8)16-14(20)11(12)15(21)17-13(10)18/h1-7,19H,(H,16,20)
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n/an/an/an/a 2.60E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47584
PNG
((E)-2-(4-bromobenzoyl)-3-[4-(diethylamino)phenyl]a...)
Show SMILES CCN(CC)c1ccc(\C=C(/C#N)C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H19BrN2O/c1-3-23(4-2)19-11-5-15(6-12-19)13-17(14-22)20(24)16-7-9-18(21)10-8-16/h5-13H,3-4H2,1-2H3/b17-13+
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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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47588
PNG
(2-(4-Phenyl-thiazol-2-yl)-benzo[f]chromen-3-yliden...)
Show SMILES N=c1oc2ccc3ccccc3c2cc1-c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H14N2OS/c23-21-18(22-24-19(13-26-22)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-20(17)25-21/h1-13,23H
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n/an/an/an/a 1.40E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47599
PNG
(3-(2-furanyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-p...)
Show SMILES [O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c25-24(26)19-12-9-16(10-13-19)8-11-17-15-20(21-7-4-14-27-21)23(22-17)18-5-2-1-3-6-18/h1-14,20H,15H2
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n/an/an/an/a 1.34E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47432
PNG
(5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium;io...)
Show SMILES Cc1cc2[nH+]c3c(cn(C)c4ccccc34)c2cc1C
Show InChI InChI=1S/C18H16N2/c1-11-8-14-15-10-20(3)17-7-5-4-6-13(17)18(15)19-16(14)9-12(11)2/h4-10H,1-3H3/p+1
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n/an/an/an/a 9.45E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47607
PNG
(1,3-bis[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl...)
Show SMILES Oc1ccc(C=NNC(=S)NN=Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H14N4O2S/c20-13-5-1-11(2-6-13)9-16-18-15(22)19-17-10-12-3-7-14(21)8-4-12/h1-10,20-21H,(H2,18,19,22)
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n/an/an/an/a 1.34E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47610
PNG
(2-chloranyl-5-[5-[(Z)-[1-(4-chlorophenyl)-2,5-bis(...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1ccc(C=C2NC(=O)N(C2=O)c2ccc(Cl)cc2)o1
Show InChI InChI=1S/C21H12Cl2N2O5/c22-12-2-4-13(5-3-12)25-19(26)17(24-21(25)29)10-14-6-8-18(30-14)11-1-7-16(23)15(9-11)20(27)28/h1-10H,(H,24,29)(H,27,28)
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n/an/an/an/a 1.18E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47616
PNG
(2-amino-3-[(4-hydroxyphenyl)diazenyl]-7-methylpyra...)
Show SMILES Cc1cc(=O)[nH]c2c(N=Nc3ccc(O)cc3)c(N)nn12
Show InChI InChI=1S/C13H12N6O2/c1-7-6-10(21)15-13-11(12(14)18-19(7)13)17-16-8-2-4-9(20)5-3-8/h2-6,20H,1H3,(H2,14,18)(H,15,21)
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n/an/an/an/a 1.40E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32316
PNG
(MLS000704595 | SMR000231990 | cid_5774988 | ethyl ...)
Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3c(Cl)ccc([nH]c1=O)c23
Show InChI InChI=1S/C19H12ClNO4/c1-2-25-19(24)16-13-9-5-3-4-6-10(9)17(22)14-11(20)7-8-12(15(13)14)21-18(16)23/h3-8H,2H2,1H3,(H,21,23)
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n/an/an/an/a 400n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47620
PNG
(1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [2-...)
Show SMILES [O-][N+](=O)c1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)OCC(=O)NC1CC1
Show InChI InChI=1S/C20H14N2O7/c23-15(21-10-5-6-10)9-29-20(26)14-8-7-13-16(17(14)22(27)28)19(25)12-4-2-1-3-11(12)18(13)24/h1-4,7-8,10H,5-6,9H2,(H,21,23)
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n/an/an/an/a 2.80E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47630
PNG
((5Z)-3-butyl-5-[(2E,4E)-5-phenylazanylpenta-2,4-di...)
Show SMILES CCCCn1c(O)c(C=CC=CC=Nc2ccccc2)sc1=S
Show InChI InChI=1S/C18H20N2OS2/c1-2-3-14-20-17(21)16(23-18(20)22)12-8-5-9-13-19-15-10-6-4-7-11-15/h4-13,21H,2-3,14H2,1H3
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n/an/an/an/a 576n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47632
PNG
((2Z)-1-ethyl-2-[(E)-3-(1-ethyl-2-benzo[e][1,3]benz...)
Show SMILES CCN1\C(Oc2ccc3ccccc3c12)=C\C=C\c1oc2ccc3ccccc3c2[n+]1CC
Show InChI InChI=1S/C29H25N2O2/c1-3-30-26(32-24-18-16-20-10-5-7-12-22(20)28(24)30)14-9-15-27-31(4-2)29-23-13-8-6-11-21(23)17-19-25(29)33-27/h5-19H,3-4H2,1-2H3/q+1
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n/an/an/an/a 223n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47633
PNG
(3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydraz...)
Show SMILES Oc1ccc(CN=Nc2nnc3c(n2)[nH]c(=O)[nH]c3=O)cc1
Show InChI InChI=1S/C12H9N7O3/c20-7-3-1-6(2-4-7)5-13-18-11-14-9-8(17-19-11)10(21)16-12(22)15-9/h1-4,20H,5H2,(H2,14,15,16,19,21,22)
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n/an/an/an/a 3.79E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM46308
PNG
(2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(phenylmethy...)
Show SMILES OCCN(N=Cc1ccccc1)C1=NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C16H15N3O3S/c20-11-10-19(17-12-13-6-2-1-3-7-13)16-14-8-4-5-9-15(14)23(21,22)18-16/h1-9,12,20H,10-11H2
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n/an/an/an/a 5.19E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM46298
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[(3-methylbe...)
Show SMILES Cc1cccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)c1
Show InChI InChI=1S/C17H17N3O3S/c1-13-5-4-6-14(11-13)12-18-20(9-10-21)17-15-7-2-3-8-16(15)24(22,23)19-17/h2-8,11-12,21H,9-10H2,1H3
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n/an/an/an/a 6.02E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47648
PNG
(4-(cycloheptylamino)-6,7-dimethoxy-1H-quinazoline-...)
Show SMILES COc1cc2nc(=S)[nH]c(NC3CCCCCC3)c2cc1OC
Show InChI InChI=1S/C17H23N3O2S/c1-21-14-9-12-13(10-15(14)22-2)19-17(23)20-16(12)18-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,18,19,20,23)
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n/an/an/an/a 1.32E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47658
PNG
(1-(4-methylphenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl...)
Show SMILES Cc1ccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C17H15N5O/c1-12-4-6-14(7-5-12)20-17(23)22-15-8-10-19-16(21-15)13-3-2-9-18-11-13/h2-11H,1H3,(H2,19,20,21,22,23)
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n/an/an/an/a 2.07E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47664
PNG
(6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-...)
Show SMILES COc1cc2nc(=S)[nH]c(NCCc3ccc(C)cc3)c2cc1OC
Show InChI InChI=1S/C19H21N3O2S/c1-12-4-6-13(7-5-12)8-9-20-18-14-10-16(23-2)17(24-3)11-15(14)21-19(25)22-18/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22,25)
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n/an/an/an/a 334n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47674
PNG
(3-(3-chloro-4-methoxybenzyl)-4-imino-6,7-dimethoxy...)
Show SMILES COc1ccc(Cn2c(N)c3cc(OC)c(OC)cc3nc2=S)cc1Cl
Show InChI InChI=1S/C18H18ClN3O3S/c1-23-14-5-4-10(6-12(14)19)9-22-17(20)11-7-15(24-2)16(25-3)8-13(11)21-18(22)26/h4-8H,9,20H2,1-3H3
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n/an/an/an/a 602n/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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47677
PNG
(3-nitro-N-[[phenyl(2-pyridinyl)methylidene]amino]b...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N[N-][C+](c1ccccc1)c1ccccn1
Show InChI InChI=1S/C19H14N4O3/c24-19(15-9-6-10-16(13-15)23(25)26)22-21-18(14-7-2-1-3-8-14)17-11-4-5-12-20-17/h1-13H,(H,22,24)
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n/an/an/an/a 3.81E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47679
PNG
(7-nitro-3-[2-(trifluoromethyl)benzyl]quinazolin-4-...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)ncn(Cc1ccccc1C(F)(F)F)c2=O
Show InChI InChI=1S/C16H10F3N3O3/c17-16(18,19)13-4-2-1-3-10(13)8-21-9-20-14-7-11(22(24)25)5-6-12(14)15(21)23/h1-7,9H,8H2
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n/an/an/an/a 7.62E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47681
PNG
((3-fluorophenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl...)
Show SMILES Fc1cccc(Nc2ncnc3n[nH]cc23)c1
Show InChI InChI=1S/C11H8FN5/c12-7-2-1-3-8(4-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
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n/an/an/an/a 4.51E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/an/an/a 2.38E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM50241084
PNG
(3'-Methoxyapigenin | 4',5,7-trihydroxy-3'-methoxyf...)
Show SMILES COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
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n/an/an/an/a 1.75E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM47690
PNG
(MLS000775712 | N-(2-methoxy-5-piperidin-1-ylsulfon...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(o1)[N+]([O-])=O)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H19N3O7S/c1-26-14-6-5-12(28(24,25)19-9-3-2-4-10-19)11-13(14)18-17(21)15-7-8-16(27-15)20(22)23/h5-8,11H,2-4,9-10H2,1H3,(H,18,21)
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n/an/an/an/a 2.86E+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-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%