Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with all data for entry = 5595   

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
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM80999 (2-(phenylmethyl)-1,2-thiazol-3-one | 2-(phenylmeth...) Show SMILES O=c1ccsn1Cc1ccccc1 Show InChI InChI=1S/C10H9NOS/c12-10-6-7-13-11(10)8-9-4-2-1-3-5-9/h1-7H,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91490 (1-(8-methyl-1,3,4,5-tetrahydropyrid[4,3-b]indol-2-...) Show SMILES Cc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)CN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C23H27N5O/c1-17-5-6-20-18(14-17)19-15-28(9-7-21(19)25-20)23(29)16-26-10-12-27(13-11-26)22-4-2-3-8-24-22/h2-6,8,14,25H,7,9-13,15-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM46660 (5-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thi...) Show SMILES Brc1cccc(c1)-c1n[nH]c(=S)[nH]1 Show InChI InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM34671 (1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...) Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.37E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91491 (3-bromanyl-N-[(E)-(5-nitrothiophen-2-yl)methyliden...) Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccc(Br)c2)s1 Show InChI InChI=1S/C12H8BrN3O3S/c13-9-3-1-2-8(6-9)12(17)15-14-7-10-4-5-11(20-10)16(18)19/h1-7H,(H,15,17)/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM50099737 (2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...) Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21 Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.09E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM59826 (5-chloranyl-3H-1,3-benzothiazole-2-thione | 5-chlo...) Show SMILES Sc1nc2cc(Cl)ccc2s1 Show InChI InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM70538 (2-chloranyl-3-(ethylamino)naphthalene-1,4-dione | ...) Show SMILES CC=Nc1c(Cl)c(O)c2ccccc2c1O |w:1.0| Show InChI InChI=1S/C12H10ClNO2/c1-2-14-10-9(13)11(15)7-5-3-4-6-8(7)12(10)16/h2-6,15-16H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM57185 (4-(2-Hydroxy-phenylamino)-[1,2]naphthoquinone | 4-...) Show SMILES Oc1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:9| Show InChI InChI=1S/C16H11NO3/c18-14-8-4-3-7-12(14)17-13-9-15(19)16(20)11-6-2-1-5-10(11)13/h1-9,17-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM34691 (2-methyl-3-(phenylcarbonyl)benzo[g][1]benzofuran-4...) Show SMILES Cc1oc-2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc-21 Show InChI InChI=1S/C20H12O4/c1-11-15(17(21)12-7-3-2-4-8-12)16-19(23)18(22)13-9-5-6-10-14(13)20(16)24-11/h2-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.32E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91492 (2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-(2-mor...) Show SMILES CN(CC(=O)Nc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H22ClN3O4S/c1-22(28(25,26)16-8-6-15(20)7-9-16)14-19(24)21-17-4-2-3-5-18(17)23-10-12-27-13-11-23/h2-9H,10-14H2,1H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM79980 (2-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanyl-1H...) Show SMILES CS(=O)(=O)c1cc(c(Sc2nc3ccccc3[nH]2)c(c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C14H10N4O6S2/c1-26(23,24)8-6-11(17(19)20)13(12(7-8)18(21)22)25-14-15-9-4-2-3-5-10(9)16-14/h2-7H,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91493 (4-(4-methylphenyl)-2-pyrimidinethiol | 6-(4-methyl...) Show SMILES Cc1ccc(cc1)-c1cc[nH]c(=S)n1 Show InChI InChI=1S/C11H10N2S/c1-8-2-4-9(5-3-8)10-6-7-12-11(14)13-10/h2-7H,1H3,(H,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM87797 (2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5...) Show SMILES CC(C)CNc1nc(nc(=S)[nH]1)N(C)C Show InChI InChI=1S/C9H17N5S/c1-6(2)5-10-7-11-8(14(3)4)13-9(15)12-7/h6H,5H2,1-4H3,(H2,10,11,12,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91494 (4-(3,5-dimethoxyanilino)-3-nitro-benzoic acid | 4-...) Show SMILES COc1cc(Nc2ccc(cc2[N+]([O-])=O)C(O)=O)cc(OC)c1 Show InChI InChI=1S/C15H14N2O6/c1-22-11-6-10(7-12(8-11)23-2)16-13-4-3-9(15(18)19)5-14(13)17(20)21/h3-8,16H,1-2H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM50253 ((NZ)-N-[4-keto-3-(1H-1,2,4-triazol-5-ylthio)-1-nap...) Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:12.12,t:15| Show InChI InChI=1S/C21H18N4O3S2/c1-12-8-14(3)19(9-13(12)2)30(27,28)25-17-10-18(29-21-22-11-23-24-21)20(26)16-7-5-4-6-15(16)17/h4-11H,1-3H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM54241 (MLS000585864 | N-(2,4-dimethylphenyl)-9,10-bis(oxi...) Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c(C)c1 Show InChI InChI=1S/C22H17NO4S/c1-13-7-10-20(14(2)11-13)23-28(26,27)15-8-9-18-19(12-15)22(25)17-6-4-3-5-16(17)21(18)24/h3-12,23H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM70781 (9,10-bis(oxidanylidene)-N-phenyl-anthracene-2-sulf...) Show SMILES O=C1c2ccccc2C(=O)c2cc(ccc12)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C20H13NO4S/c22-19-15-8-4-5-9-16(15)20(23)18-12-14(10-11-17(18)19)26(24,25)21-13-6-2-1-3-7-13/h1-12,21H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM87856 (2-Mercapto-6-methoxymethyl-pyrimidin-4-ol | 6-(met...) Show SMILES COCc1cc(=O)[nH]c(=S)[nH]1 Show InChI InChI=1S/C6H8N2O2S/c1-10-3-4-2-5(9)8-6(11)7-4/h2H,3H2,1H3,(H2,7,8,9,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91496 (MLS000335811 | N-(3-acetylphenyl)-2-(4-ethoxyanili...) Show SMILES CCOc1ccc(NC(C(=O)Nc2cccc(c2)C(C)=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H24N2O3/c1-3-29-22-14-12-20(13-15-22)25-23(18-8-5-4-6-9-18)24(28)26-21-11-7-10-19(16-21)17(2)27/h4-16,23,25H,3H2,1-2H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM42260 ((2-anilino-2-oxoethyl) 5-nitrothiophene-2-carboxyl...) Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H10N2O5S/c16-11(14-9-4-2-1-3-5-9)8-20-13(17)10-6-7-12(21-10)15(18)19/h1-7H,8H2,(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.75E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM65998 (5-nitro-2-thiophenecarboxylic acid [2-(4-tert-buty...) Show SMILES CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C17H18N2O5S/c1-17(2,3)11-4-6-12(7-5-11)18-14(20)10-24-16(21)13-8-9-15(25-13)19(22)23/h4-9H,10H2,1-3H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.47E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91498 ((2S)-2-benzamido-3-methyl-butyric acid (4-keto-5-p...) Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C25H23N3O4S/c1-15(2)21(28-22(29)17-11-7-4-8-12-17)25(31)32-13-19-26-23(30)20-18(14-33-24(20)27-19)16-9-5-3-6-10-16/h3-12,14-15,21H,13H2,1-2H3,(H,28,29)(H,26,27,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91499 ((3-amino-5,8-dimethyl-2-thieno[2,3-b]quinolinyl)-(...) Show SMILES Cc1ccc(C)c2nc3sc(C(=O)N4CCOCC4)c(N)c3cc12 Show InChI InChI=1S/C18H19N3O2S/c1-10-3-4-11(2)15-12(10)9-13-14(19)16(24-17(13)20-15)18(22)21-5-7-23-8-6-21/h3-4,9H,5-8,19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91500 ((6E)-2-bromanyl-6-[[(4-morpholin-4-ylphenyl)amino]...) Show SMILES [O-][N+](=O)c1cc(Br)c(=O)[c-](\C=[NH+]\c2ccc(cc2)N2CCOCC2)c1 Show InChI InChI=1S/C17H15BrN3O4/c18-16-10-15(21(23)24)9-12(17(16)22)11-19-13-1-3-14(4-2-13)20-5-7-25-8-6-20/h1-4,9-11H,5-8H2/q-1/p+1/b19-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91501 (2,2-dimethyl-N-(2,2,2-trichloro-1-pyrimidin-4-ylsu...) Show SMILES CC(C)(C)C(=O)NC(Sc1ccncn1)C(Cl)(Cl)Cl Show InChI InChI=1S/C11H14Cl3N3OS/c1-10(2,3)8(18)17-9(11(12,13)14)19-7-4-5-15-6-16-7/h4-6,9H,1-3H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM34849 (6-fluoranyl-2-(2-methylphenyl)-1,2-benzothiazol-3-...) Show SMILES Cc1ccccc1-n1sc2cc(F)ccc2c1=O Show InChI InChI=1S/C14H10FNOS/c1-9-4-2-3-5-12(9)16-14(17)11-7-6-10(15)8-13(11)18-16/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM55750 (5-(2-phenylethylamino)-3H-1,3,4-thiadiazole-2-thio...) Show SMILES Sc1nnc(NCCc2ccccc2)s1 Show InChI InChI=1S/C10H11N3S2/c14-10-13-12-9(15-10)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM34888 (1-naphthyl-[(5-nitro-2-thienyl)methylene]amine | M...) Show SMILES [O-][N+](=O)c1ccc(\C=N\c2cccc3ccccc23)s1 Show InChI InChI=1S/C15H10N2O2S/c18-17(19)15-9-8-12(20-15)10-16-14-7-3-5-11-4-1-2-6-13(11)14/h1-10H/b16-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM46610 (5-(3,4,5-trimethoxyphenyl)-1,2-dihydro-1,2,4-triaz...) Show SMILES COc1cc(cc(OC)c1OC)-c1n[nH]c(=S)[nH]1 Show InChI InChI=1S/C11H13N3O3S/c1-15-7-4-6(10-12-11(18)14-13-10)5-8(16-2)9(7)17-3/h4-5H,1-3H3,(H2,12,13,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM54927 (4-(benzylamino)-1,2-naphthoquinone | 4-(benzylamin...) Show SMILES O=C1C=C(NCc2ccccc2)c2ccccc2C1=O |t:2| Show InChI InChI=1S/C17H13NO2/c19-16-10-15(18-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(16)20/h1-10,18H,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.33E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM65375 (MLS000688659 | N-[(2-cyanoethanoylamino)carbamothi...) Show SMILES Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)CC#N Show InChI InChI=1S/C12H12N4O2S/c1-8-2-4-9(5-3-8)11(18)14-12(19)16-15-10(17)6-7-13/h2-5H,6H2,1H3,(H,15,17)(H2,14,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91502 (4-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethy...) Show SMILES CCCCC(=O)NNC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C13H16N4O4S/c1-2-3-4-11(18)15-16-13(22)14-12(19)9-5-7-10(8-6-9)17(20)21/h5-8H,2-4H2,1H3,(H,15,18)(H2,14,16,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM60691 (2-(2-keto-1,3-benzoxazol-3-yl)-N-(2-thioxo-3H-1,3,...) Show SMILES Sc1nnc(NC(=O)Cn2c3ccccc3oc2=O)s1 Show InChI InChI=1S/C11H8N4O3S2/c16-8(12-9-13-14-10(19)20-9)5-15-6-3-1-2-4-7(6)18-11(15)17/h1-4H,5H2,(H,14,19)(H,12,13,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM76553 (5-nitro-2-thiophenecarboxylic acid [2-(2-methoxyan...) Show SMILES COc1ccccc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O Show InChI InChI=1S/C14H12N2O6S/c1-21-10-5-3-2-4-9(10)15-12(17)8-22-14(18)11-6-7-13(23-11)16(19)20/h2-7H,8H2,1H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.94E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM34966 (3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...) Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O Show InChI InChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM71150 (2-Chloro-3-(4-hydroxy-phenylamino)-[1,4]naphthoqui...) Show SMILES Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:6| Show InChI InChI=1S/C16H10ClNO3/c17-13-14(18-9-5-7-10(19)8-6-9)16(21)12-4-2-1-3-11(12)15(13)20/h1-8,18-19H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM71180 (2-Amino-3-bromo-[1,4]naphthoquinone | 2-amino-3-br...) Show SMILES NC1=C(Br)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C10H6BrNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	6.19E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM66626 (2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)et...) Show SMILES CC(=O)OCCn1c2cc(C)c(C)cc2nc2c1nc(=O)[nH]c2=O Show InChI InChI=1S/C16H16N4O4/c1-8-6-11-12(7-9(8)2)20(4-5-24-10(3)21)14-13(17-11)15(22)19-16(23)18-14/h6-7H,4-5H2,1-3H3,(H,19,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	5.44E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM50640 (2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,...) Show SMILES ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM52835 (1H-benzo[f]benzimidazole-4,9-dione | 1H-benzo[f]be...) Show SMILES O=C1c2nc[nH]c2C(=O)c2ccccc12 Show InChI InChI=1S/C11H6N2O2/c14-10-6-3-1-2-4-7(6)11(15)9-8(10)12-5-13-9/h1-5H,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91504 (2,4 (1H,3H)-Pyrimidinedithione, 6-methyl- | 6-meth...) Show SMILES Cc1cc(=S)[nH]c(=S)[nH]1 Show InChI InChI=1S/C5H6N2S2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM55881 (2-(3-morpholin-4-ylphenazin-5-ium-5-yl)ethanol;per...) Show SMILES OCCn1c2ccccc2nc2ccc(cc12)=[N+]1CCOCC1 |(3.45,13.18,;3.45,11.7,;4.73,10.96,;4.73,9.48,;3.45,8.74,;2.13,9.54,;.79,8.78,;.79,7.24,;2.13,6.48,;3.45,7.27,;4.73,6.53,;6.01,7.27,;7.34,6.48,;8.68,7.24,;8.68,8.78,;7.34,9.54,;6.01,8.74,;9.95,9.52,;9.95,11,;11.23,11.74,;12.51,11.01,;12.51,9.53,;11.24,8.79,)| Show InChI InChI=1S/C18H20N3O2/c22-10-7-21-17-4-2-1-3-15(17)19-16-6-5-14(13-18(16)21)20-8-11-23-12-9-20/h1-6,13,22H,7-12H2/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM76596 (5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(4-sul...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H11N3O7S2/c14-25(21,22)9-3-1-8(2-4-9)15-11(17)7-23-13(18)10-5-6-12(24-10)16(19)20/h1-6H,7H2,(H,15,17)(H2,14,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM33943 (5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[3-(3,...) Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)\[NH+]=C1\CCCCC[N-]1 Show InChI InChI=1S/C19H20N4O7S2/c24-17(12-30-19(25)15-8-9-18(31-15)23(26)27)21-13-5-4-6-14(11-13)32(28,29)22-16-7-2-1-3-10-20-16/h4-6,8-9,11H,1-3,7,10,12H2,(H2,20,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	7.04E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM7493 (cid_23641117) Show SMILES [H][C@@]12C[C@@]34C(=O)C(=C)[C@@]5([H])C[C@@]3([H])[C@@]3([H])N1C[C@]1(C)CCC[C@]3([C@]21[H])[C@]4([H])[C@@]5([H])O |TLB:5:4:25.27:11.10,4:3:15:22.23,7:6:25.27:11.10,25:22:15:3.11.2,2:3:22.13:27.10.8,27:25:11:15.1.2,THB:4:3:22.13:27.10.8,23:22:11:15.1.2,23:1:22.25:11,25:3:15:22.23,17:23:15:3.11.2,2:1:22.13:17.16,16:15:22.23:3.11.2,16:15:22.25:11,10:11:15:22.23,10:11:22.25:15.1.2| Show InChI InChI=1S/C20H25NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-16,22H,1,3-8H2,2H3/t10-,11+,12+,13+,14-,15+,16-,18+,19+,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM60840 (2,2'-dithiodipyridine | 2-(2-pyridinyldisulfan...) Show SMILES S(Sc1ccccn1)c1ccccn1 Show InChI InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM60846 ((2-{[2-(hydroxymethyl)phenyl]disulfanyl}phenyl)met...) Show SMILES OCc1ccccc1SSc1ccccc1CO Show InChI InChI=1S/C14H14O2S2/c15-9-11-5-1-3-7-13(11)17-18-14-8-4-2-6-12(14)10-16/h1-8,15-16H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM91505 (2-(4-nitrophenyl)-3,5-diphenyl-1,2,3,4-tetrazol-2-...) Show SMILES [O-][N+](=O)c1ccc(cc1)-[n+]1nc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H14N5O2/c25-24(26)18-13-11-17(12-14-18)23-21-19(15-7-3-1-4-8-15)20-22(23)16-9-5-2-6-10-16/h1-14H/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM65593 (3-Diethylamino-5-ethyl-phenazin-5-ium | MLS0012090...) Show SMILES CCn1c2ccccc2nc2ccc(cc12)=[N+](CC)CC |(3.45,9.91,;4.73,9.17,;4.73,7.69,;3.45,6.95,;2.13,7.74,;.79,6.98,;.79,5.44,;2.13,4.68,;3.45,5.47,;4.73,4.73,;6.01,5.47,;7.34,4.68,;8.68,5.44,;8.68,6.98,;7.34,7.74,;6.01,6.95,;9.95,7.72,;9.95,9.2,;11.23,9.95,;11.24,6.99,;12.51,7.73,)| Show InChI InChI=1S/C18H22N3/c1-4-20(5-2)14-11-12-16-18(13-14)21(6-3)17-10-8-7-9-15(17)19-16/h7-13H,4-6H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
					More data for this Ligand-Target Pair

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