Compile Data Set for Download or QSAR

Found 186 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 4100   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glutathione S-transferase Mu 1 (Homo sapiens (Human))	BDBM47552 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM42286 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47553 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.49E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47554 (3-(3-methylphenyl)sulfonyl-1-(3-pyridinylmethylide...) Show SMILES Cc1cccc(c1)S(=O)(=O)c1c(N)n(N=Cc2cccnc2)c2nc3ccccc3nc12 |w:14.14| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.42E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47555 (3-[(2-amino-3-thiophen-2-ylsulfonyl-1-pyrrolo[3,2-...) Show SMILES Nc1c(c2nc3ccccc3nc2n1N=Cc1cccc(O)c1)S(=O)(=O)c1cccs1 |w:14.16| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	355	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47556 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47557 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM38573 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM32263 (3-(5-methyl-1H-pyrazol-3-yl)-6-(4-phenylphenyl)-7H...) Show SMILES Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1 |c:13| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47558 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.05E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47559 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47560 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	4.69E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM32268 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM39554 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	5.08E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47561 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM34465 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.38E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM50293573 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47562 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.59E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47563 ((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-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47564 ((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-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	74.5	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47565 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM32276 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47566 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47567 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM41672 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.43E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM44483 ((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-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	202	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47568 (1-[(3,4-dimethoxyphenyl)methylideneamino]-3-thioph...) Show SMILES COc1ccc(C=Nn2c(N)c(c3nc4ccccc4nc23)S(=O)(=O)c2cccs2)cc1OC |w:7.7| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	612	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47569 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.45E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47570 ((1Z)-1-[[2-[4-(1H-imidazol-2-yl)phthalazin-1-yl]hy...) Show SMILES Oc1ccc2ccccc2c1CN=Nc1nnc(-c2ncc[nH]2)c2ccccc12 |w:13.15| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47571 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47572 ((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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47573 ((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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47574 ((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-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	69.7	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM34716 ((4Z)-4-[3-(2-furanyl)-5H-[1,2,4]triazolo[3,4-b][1,...) Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM32287 ((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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47576 ((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-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	26.9	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM46295 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.48E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47577 ((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-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47578 (2-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydraz...) Show SMILES Oc1ccc(CN=Nc2nc3ccccc3c(=O)[nH]2)cc1 |w:7.7| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.68E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47579 ((4-{[4-(Benzyl-methanesulfonyl-amino)-benzoyl]-hyd...) Show SMILES COC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)N(Cc2ccccc2)S(C)(=O)=O)cc1 |w:11.11| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.09E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47580 ((2E)-2-(5-ethoxy-1-methyl-2-oxo-1,2-dihydro-3H-ind...) Show SMILES [#6]-[#6]-[#8]-c1ccc2-[#7](-[#6])-[#6](=O)-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1 |w:12.12| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM45071 (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 |w:7.8,t:1| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47581 ((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-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM34751 (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 |(10.68,5.5,;9.35,4.73,;9.35,3.19,;10.68,2.42,;10.68,.88,;12.01,.11,;13.35,.88,;9.35,.11,;8.01,.88,;8.01,2.42,;6.68,3.19,;6.68,4.73,;9.35,-1.43,;10.68,-2.2,;12.06,-1.38,;13.45,-2.17,;14.78,-1.39,;13.45,-3.77,;14.78,-4.55,;12.06,-4.56,;10.68,-3.74,;9.35,-4.51,;8.01,-3.74,;6.63,-4.56,;5.24,-3.77,;3.91,-4.55,;5.24,-2.17,;3.91,-1.39,;6.63,-1.38,;8.01,-2.2,)| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	258	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM32293 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47582 (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-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.17E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47583 (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 |w:17.18| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47584 ((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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM47585 (1-(2,1,3-benzothiadiazol-4-yl)-3-[(3,4-dimethoxyph...) Show SMILES COc1ccc(C=NNC(=O)Nc2cccc3nsnc23)cc1OC |w:7.7| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	682	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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 Mu 1 (Homo sapiens (Human))	BDBM44034 (2,3-Dihydro-benzo[1,4]dioxine-6-sulfonic acid benz...) Show SMILES COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3OCCOc3c2)ccc1O |w:6.6| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description 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

Displayed 1 to 50 (of 186 total )  |  Next  |  Last  >>

Jump to: