Compile Data Set for Download or QSAR

Found 157 hits of ec50 data for polymerid = 2214,2215,50000932,50006975   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Transketolase (Homo sapiens (Human))	BDBM50373745 (CHEMBL403691) Show SMILES CC(=O)OCCc1sc[n+](Cc2ccc(C)nc2N)c1C Show InChI InChI=1S/C15H20N3O2S/c1-10-4-5-13(15(16)17-10)8-18-9-21-14(11(18)2)6-7-20-12(3)19/h4-5,9H,6-8H2,1-3H3,(H2,16,17)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230590 (CHEMBL402594 | N-(2-amino-6-chloro-pyridin-3-ylmet...) Show SMILES C\C(N(Cc1ccc(Cl)nc1N)C=O)=C(/CCO)SS\C(CCO)=C(\C)N(Cc1ccc(Cl)nc1N)C=O Show InChI InChI=1S/C24H30Cl2N6O4S2/c1-15(31(13-35)11-17-3-5-21(25)29-23(17)27)19(7-9-33)37-38-20(8-10-34)16(2)32(14-36)12-18-4-6-22(26)30-24(18)28/h3-6,13-14,33-34H,7-12H2,1-2H3,(H2,27,29)(H2,28,30)/b19-15-,20-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230591 (3-(acetylthio)-4-(N-((2-amino-6-methylpyridin-3-yl...) Show SMILES CC(=O)OCC\C(SC(C)=O)=C(/C)N(Cc1ccc(C)nc1N)C=O Show InChI InChI=1S/C17H23N3O4S/c1-11-5-6-15(17(18)19-11)9-20(10-21)12(2)16(25-14(4)23)7-8-24-13(3)22/h5-6,10H,7-9H2,1-4H3,(H2,18,19)/b16-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373720 (CHEMBL271044) Show SMILES Cc1c(CCO)sc[n+]1Cc1c(C)cc(C)nc1N Show InChI InChI=1S/C14H20N3OS/c1-9-6-10(2)16-14(15)12(9)7-17-8-19-13(4-5-18)11(17)3/h6,8,18H,4-5,7H2,1-3H3,(H2,15,16)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.30	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373738 (CHEMBL256627) Show SMILES CCc1ccc(C[n+]2csc(CCO)c2C)c(N)n1 Show InChI InChI=1S/C14H20N3OS/c1-3-12-5-4-11(14(15)16-12)8-17-9-19-13(6-7-18)10(17)2/h4-5,9,18H,3,6-8H2,1-2H3,(H2,15,16)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.70	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230593 (3-(2-amino-6-chloro-pyridin-3-ylmethyl)-5-(2-hydro...) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(Cl)nc1N Show InChI InChI=1S/C12H15ClN3OS/c1-8-10(4-5-17)18-7-16(8)6-9-2-3-11(13)15-12(9)14/h2-3,7,17H,4-6H2,1H3,(H2,14,15)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230593 (3-(2-amino-6-chloro-pyridin-3-ylmethyl)-5-(2-hydro...) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(Cl)nc1N Show InChI InChI=1S/C12H15ClN3OS/c1-8-10(4-5-17)18-7-16(8)6-9-2-3-11(13)15-12(9)14/h2-3,7,17H,4-6H2,1H3,(H2,14,15)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230587 (CHEMBL440237 | N-(2-amino-6-methyl-pyridin-3-ylmet...) Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCO)SS\C(CCO)=C(\C)N(Cc1ccc(C)nc1N)C=O Show InChI InChI=1S/C26H36N6O4S2/c1-17-5-7-21(25(27)29-17)13-31(15-35)19(3)23(9-11-33)37-38-24(10-12-34)20(4)32(16-36)14-22-8-6-18(2)30-26(22)28/h5-8,15-16,33-34H,9-14H2,1-4H3,(H2,27,29)(H2,28,30)/b23-19-,24-20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230598 (CHEMBL253045 | N-((2-amino-6-methylpyridin-3-yl)me...) Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCO)SSCCO Show InChI InChI=1S/C15H23N3O3S2/c1-11-3-4-13(15(16)17-11)9-18(10-21)12(2)14(5-6-19)23-22-8-7-20/h3-4,10,19-20H,5-9H2,1-2H3,(H2,16,17)/b14-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230586 (CHEMBL252845 | N-((2-amino-6-methylpyridin-3-yl)me...) Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C1/CCOC(=O)S1 Show InChI InChI=1S/C14H17N3O3S/c1-9-3-4-11(13(15)16-9)7-17(8-18)10(2)12-5-6-20-14(19)21-12/h3-4,8H,5-7H2,1-2H3,(H2,15,16)/b12-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230600 (3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C13H18N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373716 (CHEMBL403212) Show SMILES CCc1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C15H22N3OS/c1-4-14-18(11(3)13(20-14)7-8-19)9-12-6-5-10(2)17-15(12)16/h5-6,19H,4,7-9H2,1-3H3,(H2,16,17)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230600 (3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C13H18N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230597 (4-(N-((2-amino-6-methylpyridin-3-yl)methyl)formami...) Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCOC(=O)c1ccccc1)SC(=O)c1ccccc1 Show InChI InChI=1S/C27H27N3O4S/c1-19-13-14-23(25(28)29-19)17-30(18-31)20(2)24(35-27(33)22-11-7-4-8-12-22)15-16-34-26(32)21-9-5-3-6-10-21/h3-14,18H,15-17H2,1-2H3,(H2,28,29)/b24-20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230588 (3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...) Show SMILES Cc1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C14H20N3OS/c1-9-4-5-12(14(15)16-9)8-17-10(2)13(6-7-18)19-11(17)3/h4-5,18H,6-8H2,1-3H3,(H2,15,16)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373732 (CHEMBL255339) Show SMILES CC(O)c1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N |w:1.0| Show InChI InChI=1S/C15H22N3O2S/c1-9-4-5-12(14(16)17-9)8-18-10(2)13(6-7-19)21-15(18)11(3)20/h4-5,11,19-20H,6-8H2,1-3H3,(H2,16,17)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230595 (CHEMBL251888 | N-{2-[2-[acetyl-(2-amino-6-methyl-p...) Show SMILES CC(=O)N(Cc1ccc(C)nc1N)C(\C)=C(\CCO)SS\C(CCO)=C(\C)N(Cc1ccc(C)nc1N)C(C)=O Show InChI InChI=1S/C28H40N6O4S2/c1-17-7-9-23(27(29)31-17)15-33(21(5)37)19(3)25(11-13-35)39-40-26(12-14-36)20(4)34(22(6)38)16-24-10-8-18(2)32-28(24)30/h7-10,35-36H,11-16H2,1-6H3,(H2,29,31)(H2,30,32)/b25-19-,26-20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373725 (CHEMBL258077) Show SMILES Cc1c(sc[n+]1Cc1ccc(C)nc1N)[C@H](O)CO Show InChI InChI=1S/C13H18N3O2S/c1-8-3-4-10(13(14)15-8)5-16-7-19-12(9(16)2)11(18)6-17/h3-4,7,11,17-18H,5-6H2,1-2H3,(H2,14,15)/q+1/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230599 (3-(2-(4-(N-((2-amino-6-methylpyridin-3-yl)methyl)f...) Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCO)SSCCC(O)=O Show InChI InChI=1S/C16H23N3O4S2/c1-11-3-4-13(16(17)18-11)9-19(10-21)12(2)14(5-7-20)25-24-8-6-15(22)23/h3-4,10,20H,5-9H2,1-2H3,(H2,17,18)(H,22,23)/b14-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230588 (3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydro...) Show SMILES Cc1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C14H20N3OS/c1-9-4-5-12(14(15)16-9)8-17-10(2)13(6-7-18)19-11(17)3/h4-5,18H,6-8H2,1-3H3,(H2,15,16)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230589 (3-(2-amino-pyridin-3-ylmethyl)-5-(2-hydroxy-ethyl)...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cccnc1N Show InChI InChI=1S/C12H16N3OS/c1-9-11(4-6-16)17-8-15(9)7-10-3-2-5-14-12(10)13/h2-3,5,8,16H,4,6-7H2,1H3,(H2,13,14)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230589 (3-(2-amino-pyridin-3-ylmethyl)-5-(2-hydroxy-ethyl)...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cccnc1N Show InChI InChI=1S/C12H16N3OS/c1-9-11(4-6-16)17-8-15(9)7-10-3-2-5-14-12(10)13/h2-3,5,8,16H,4,6-7H2,1H3,(H2,13,14)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230594 ((4-(N-((2-amino-6-methylpyridin-3-yl)methyl)formam...) Show SMILES C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCO)SCOC(=O)C(C)(C)C Show InChI InChI=1S/C19H29N3O4S/c1-13-6-7-15(17(20)21-13)10-22(11-24)14(2)16(8-9-23)27-12-26-18(25)19(3,4)5/h6-7,11,23H,8-10,12H2,1-5H3,(H2,20,21)/b16-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	116	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373739 (CHEMBL270168) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(nc1N)C(F)(F)F Show InChI InChI=1S/C13H15F3N3OS/c1-8-10(4-5-20)21-7-19(8)6-9-2-3-11(13(14,15)16)18-12(9)17/h2-3,7,20H,4-6H2,1H3,(H2,17,18)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373725 (CHEMBL258077) Show SMILES Cc1c(sc[n+]1Cc1ccc(C)nc1N)[C@H](O)CO Show InChI InChI=1S/C13H18N3O2S/c1-8-3-4-10(13(14)15-8)5-16-7-19-12(9(16)2)11(18)6-17/h3-4,7,11,17-18H,5-6H2,1-2H3,(H2,14,15)/q+1/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50123605 (CHEMBL3143935) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2C1=NC(Nc1ccccc1)=NC2=O |r,c:10,24,t:14| Show InChI InChI=1S/C16H17N5O4/c22-7-11-10(23)6-12(25-11)21-8-17-13-14(21)19-16(20-15(13)24)18-9-4-2-1-3-5-9/h1-5,8,10-13,22-23H,6-7H2,(H,18,20,24)/t10-,11+,12+,13?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Istituto di Genetica Biochimica ed Evoluzionistica Curated by ChEMBL					Assay Description Inhibition of [3H]-MCC binding to rat brain membranes				J Med Chem 31: 1496-500 (1988) BindingDB Entry DOI: 10.7270/Q2930TR7
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373728 (CHEMBL429246) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(nc1N)C#N Show InChI InChI=1S/C13H15N4OS/c1-9-12(4-5-18)19-8-17(9)7-10-2-3-11(6-14)16-13(10)15/h2-3,8,18H,4-5,7H2,1H3,(H2,15,16)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373727 (CHEMBL257929) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C13H14F3N2OS/c1-9-11(4-5-19)20-8-18(9)7-10-2-3-12(17-6-10)13(14,15)16/h2-3,6,8,19H,4-5,7H2,1H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50230592 (CHEMBL251889 | N-(2-amino-pyridin-3-ylmethyl)-N-{2...) Show SMILES C\C(N(Cc1cccnc1N)C=O)=C(/CCO)SS\C(CCO)=C(\C)N(Cc1cccnc1N)C=O Show InChI InChI=1S/C24H32N6O4S2/c1-17(29(15-33)13-19-5-3-9-27-23(19)25)21(7-11-31)35-36-22(8-12-32)18(2)30(16-34)14-20-6-4-10-28-24(20)26/h3-6,9-10,15-16,31-32H,7-8,11-14H2,1-2H3,(H2,25,27)(H2,26,28)/b21-17-,22-18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	479	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 505-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.100 BindingDB Entry DOI: 10.7270/Q270815G
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50472240 (CHEMBL293466) Show SMILES Nc1nc(Cl)c2ncn(CCOCP(O)(O)=O)c2n1 Show InChI InChI=1S/C8H11ClN5O4P/c9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,10,12,13)(H2,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	487	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 strain				J Med Chem 42: 2064-86 (1999) Article DOI: 10.1021/jm9811256 BindingDB Entry DOI: 10.7270/Q2CF9ST6
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373724 (CHEMBL270632) Show SMILES Cc1sc(CCO)c[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C13H18N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-12(5-6-17)18-10(16)2/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373733 (CHEMBL402566) Show SMILES Cc1ccc(C[n+]2csc(CCO)c2CO)c(N)n1 Show InChI InChI=1S/C13H18N3O2S/c1-9-2-3-10(13(14)15-9)6-16-8-19-12(4-5-17)11(16)7-18/h2-3,8,17-18H,4-7H2,1H3,(H2,14,15)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373873 (CHEMBL256177) Show SMILES Cc1c(Cc2cnc(nc2N)C2CC2)csc1CCO Show InChI InChI=1S/C15H19N3OS/c1-9-12(8-20-13(9)4-5-19)6-11-7-17-15(10-2-3-10)18-14(11)16/h7-8,10,19H,2-6H2,1H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	660	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 509-12 (2008) Article DOI: 10.1016/j.bmcl.2007.11.098 BindingDB Entry DOI: 10.7270/Q2WW7JJ3
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50472240 (CHEMBL293466) Show SMILES Nc1nc(Cl)c2ncn(CCOCP(O)(O)=O)c2n1 Show InChI InChI=1S/C8H11ClN5O4P/c9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,10,12,13)(H2,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	747	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibitory activity against herpes simplex virus type 1 (HSV-1) thymidine kinase (TK) VMW 1837 strain				J Med Chem 42: 2064-86 (1999) Article DOI: 10.1021/jm9811256 BindingDB Entry DOI: 10.7270/Q2CF9ST6
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373722 (CHEMBL256831) Show SMILES CC(=O)Nc1ccc(C[n+]2csc(CCO)c2C)c(N)n1 Show InChI InChI=1S/C14H18N4O2S/c1-9-12(5-6-19)21-8-18(9)7-11-3-4-13(16-10(2)20)17-14(11)15/h3-4,8,19H,5-7H2,1-2H3,(H2-,15,16,17,20)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373743 (CHEMBL404163) Show SMILES Cc1c(CCO)sc(Cc2cccnc2)[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C19H23N4OS/c1-13-5-6-16(19(20)22-13)12-23-14(2)17(7-9-24)25-18(23)10-15-4-3-8-21-11-15/h3-6,8,11,24H,7,9-10,12H2,1-2H3,(H2,20,22)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	840	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373717 (CHEMBL255541) Show SMILES CCc1c(CCO)sc[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C14H20N3OS/c1-3-12-13(6-7-18)19-9-17(12)8-11-5-4-10(2)16-14(11)15/h4-5,9,18H,3,6-8H2,1-2H3,(H2,15,16)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	950	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373721 (CHEMBL270384) Show SMILES Cc1c(CCO)sc[n+]1Cc1cc(I)cnc1N Show InChI InChI=1S/C12H15IN3OS/c1-8-11(2-3-17)18-7-16(8)6-9-4-10(13)5-15-12(9)14/h4-5,7,17H,2-3,6H2,1H3,(H2,14,15)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373888 (CHEMBL257254) Show SMILES Cc1c(CCO)nn(C)c1Cc1cnc(C)nc1N Show InChI InChI=1S/C13H19N5O/c1-8-11(4-5-19)17-18(3)12(8)6-10-7-15-9(2)16-13(10)14/h7,19H,4-6H2,1-3H3,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 509-12 (2008) Article DOI: 10.1016/j.bmcl.2007.11.098 BindingDB Entry DOI: 10.7270/Q2WW7JJ3
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373886 (3-Deazathiamine | CHEMBL401772) Show SMILES Cc1c(Cc2cnc(C)nc2N)csc1CCO Show InChI InChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 509-12 (2008) Article DOI: 10.1016/j.bmcl.2007.11.098 BindingDB Entry DOI: 10.7270/Q2WW7JJ3
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373741 (CHEMBL404300) Show SMILES Cc1c(CCCO)sc[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C14H20N3OS/c1-10-5-6-12(14(15)16-10)8-17-9-19-13(11(17)2)4-3-7-18/h5-6,9,18H,3-4,7-8H2,1-2H3,(H2,15,16)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373735 (CHEMBL255603) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(N)nc1 Show InChI InChI=1S/C12H16N3OS/c1-9-11(4-5-16)17-8-15(9)7-10-2-3-12(13)14-6-10/h2-3,6,8,16H,4-5,7H2,1H3,(H2,13,14)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373734 (CHEMBL255340) Show SMILES Cc1c(sc[n+]1Cc1ccc(C)nc1N)[C@@H](O)CO Show InChI InChI=1S/C13H18N3O2S/c1-8-3-4-10(13(14)15-8)5-16-7-19-12(9(16)2)11(18)6-17/h3-4,7,11,17-18H,5-6H2,1-2H3,(H2,14,15)/q+1/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373742 (CHEMBL272095) Show SMILES Cc1c(CCC#N)sc[n+]1Cc1ccc(C)nc1N Show InChI InChI=1S/C14H17N4S/c1-10-5-6-12(14(16)17-10)8-18-9-19-13(11(18)2)4-3-7-15/h5-6,9H,3-4,8H2,1-2H3,(H2,16,17)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373744 (CHEMBL257883) Show SMILES COC(=O)CCc1sc[n+](Cc2ccc(C)nc2N)c1C Show InChI InChI=1S/C15H20N3O2S/c1-10-4-5-12(15(16)17-10)8-18-9-21-13(11(18)2)6-7-14(19)20-3/h4-5,9H,6-8H2,1-3H3,(H2,16,17)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373885 (CHEMBL255550) Show SMILES CC(C)c1ncc(Cc2csc(CCO)c2C)c(N)n1 Show InChI InChI=1S/C15H21N3OS/c1-9(2)15-17-7-11(14(16)18-15)6-12-8-20-13(4-5-19)10(12)3/h7-9,19H,4-6H2,1-3H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 509-12 (2008) Article DOI: 10.1016/j.bmcl.2007.11.098 BindingDB Entry DOI: 10.7270/Q2WW7JJ3
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373876 (CHEMBL256803) Show SMILES Cc1c(CCO)sc(=O)n1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H16N4O2S/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 509-12 (2008) Article DOI: 10.1016/j.bmcl.2007.11.098 BindingDB Entry DOI: 10.7270/Q2WW7JJ3
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50013099 (2-(3-Ethyl-phenylamino)-1,9-dihydro-purin-6-one | ...) Show SMILES CCc1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1 Show InChI InChI=1S/C13H13N5O/c1-2-8-4-3-5-9(6-8)16-13-17-11-10(12(19)18-13)14-7-15-11/h3-7H,2H2,1H3,(H3,14,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Istituto di Genetica Biochimica ed Evoluzionistica Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase				J Med Chem 31: 1496-500 (1988) BindingDB Entry DOI: 10.7270/Q2930TR7
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50123607 (CHEMBL3143943) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=NC2C1=NC(Nc1ccccc1)=NC2=O |r,c:14,28,t:18| Show InChI InChI=1S/C16H18N5O7P/c22-10-6-12(28-11(10)7-27-29(24,25)26)21-8-17-13-14(21)19-16(20-15(13)23)18-9-4-2-1-3-5-9/h1-5,8,10-13,22H,6-7H2,(H,18,20,23)(H2,24,25,26)/t10-,11+,12+,13?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Istituto di Genetica Biochimica ed Evoluzionistica Curated by ChEMBL					Assay Description inhibition of (-)-[3H]-nicotine binding to torpedo electroplax membranes				J Med Chem 31: 1496-500 (1988) BindingDB Entry DOI: 10.7270/Q2930TR7
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373718 (CHEMBL402065) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccc(nc1)C(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C20H18N2O4S/c1-13-18(8-9-23)27-12-22(13)11-14-6-7-17(21-10-14)19(24)15-4-2-3-5-16(15)20(25)26/h2-7,10,12,23H,8-9,11H2,1H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair

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