Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'flohé' and Initial = 'l'   

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
Trypanothione reductase (Trypanosoma cruzi)	BDBM50352509 (CHEMBL1824848) Show SMILES CCn1c(SCC(=O)Nc2ccc(cc2)C2CCCCC2)ncc1-c1ccccc1 Show InChI InChI=1S/C25H29N3OS/c1-2-28-23(21-11-7-4-8-12-21)17-26-25(28)30-18-24(29)27-22-15-13-20(14-16-22)19-9-5-3-6-10-19/h4,7-8,11-17,19H,2-3,5-6,9-10,18H2,1H3,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins				Bioorg Med Chem Lett 21: 5255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.036 BindingDB Entry DOI: 10.7270/Q2ZP46HX
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50352515 (CHEMBL1824850) Show SMILES Clc1ccc(cc1)-c1c[nH]c(SCC(=O)Nc2sc3CCCCc3c2C#N)n1 Show InChI InChI=1S/C20H17ClN4OS2/c21-13-7-5-12(6-8-13)16-10-23-20(24-16)27-11-18(26)25-19-15(9-22)14-3-1-2-4-17(14)28-19/h5-8,10H,1-4,11H2,(H,23,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins				Bioorg Med Chem Lett 21: 5255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.036 BindingDB Entry DOI: 10.7270/Q2ZP46HX
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM60660 (2-[8-(6-amino-1H-benzimidazol-2-yl)octyl]-3H-benzi...) Show SMILES Nc1ccc2nc(CCCCCCCCc3nc4ccc(N)cc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C22H28N6/c23-15-9-11-17-19(13-15)27-21(25-17)7-5-3-1-2-4-6-8-22-26-18-12-10-16(24)14-20(18)28-22/h9-14H,1-8,23-24H2,(H,25,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins				Bioorg Med Chem Lett 21: 5255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.036 BindingDB Entry DOI: 10.7270/Q2ZP46HX
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50352513 (CHEMBL1824853) Show SMILES COCCn1c(SCC(=O)CNc2ccc(cc2)S(=O)(=O)N2CCCCC2)ncc1-c1ccccc1 Show InChI InChI=1S/C26H32N4O4S2/c1-34-17-16-30-25(21-8-4-2-5-9-21)19-28-26(30)35-20-23(31)18-27-22-10-12-24(13-11-22)36(32,33)29-14-6-3-7-15-29/h2,4-5,8-13,19,27H,3,6-7,14-18,20H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins				Bioorg Med Chem Lett 21: 5255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.036 BindingDB Entry DOI: 10.7270/Q2ZP46HX
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50352512 (CHEMBL1824852) Show SMILES Cc1sc2ncn3c(SCC(=O)Nc4sc5CCCCc5c4C#N)nnc3c2c1C Show InChI InChI=1S/C20H18N6OS3/c1-10-11(2)29-19-16(10)17-24-25-20(26(17)9-22-19)28-8-15(27)23-18-13(7-21)12-5-3-4-6-14(12)30-18/h9H,3-6,8H2,1-2H3,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins				Bioorg Med Chem Lett 21: 5255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.036 BindingDB Entry DOI: 10.7270/Q2ZP46HX
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50352510 (CHEMBL1824849) Show SMILES CCn1c(SCC(=O)Nc2sc3CCCCc3c2C#N)ncc1-c1ccccc1 Show InChI InChI=1S/C22H22N4OS2/c1-2-26-18(15-8-4-3-5-9-15)13-24-22(26)28-14-20(27)25-21-17(12-23)16-10-6-7-11-19(16)29-21/h3-5,8-9,13H,2,6-7,10-11,14H2,1H3,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins				Bioorg Med Chem Lett 21: 5255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.036 BindingDB Entry DOI: 10.7270/Q2ZP46HX
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50352508 (CHEMBL1824847) Show SMILES Cc1ccc2nc(Cc3ccc(NC(=O)CCc4nc5ccccc5[nH]4)cc3)[nH]c2c1 Show InChI InChI=1S/C25H23N5O/c1-16-6-11-21-22(14-16)30-24(29-21)15-17-7-9-18(10-8-17)26-25(31)13-12-23-27-19-4-2-3-5-20(19)28-23/h2-11,14H,12-13,15H2,1H3,(H,26,31)(H,27,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins				Bioorg Med Chem Lett 21: 5255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.036 BindingDB Entry DOI: 10.7270/Q2ZP46HX
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50352514 (CHEMBL1824854) Show SMILES Clc1ccc(cc1)-c1cnc(SCC(=O)CNc2ccc(cc2)S(=O)(=O)N2CCCCC2)n1-c1ccccc1 Show InChI InChI=1S/C29H29ClN4O3S2/c30-23-11-9-22(10-12-23)28-20-32-29(34(28)25-7-3-1-4-8-25)38-21-26(35)19-31-24-13-15-27(16-14-24)39(36,37)33-17-5-2-6-18-33/h1,3-4,7-16,20,31H,2,5-6,17-19,21H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins				Bioorg Med Chem Lett 21: 5255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.036 BindingDB Entry DOI: 10.7270/Q2ZP46HX
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50352511 (CHEMBL1824851) Show SMILES CC(Oc1ccccc1)C(=O)Nc1ccc(Cc2nc3ccc(C)cc3[nH]2)cc1 Show InChI InChI=1S/C24H23N3O2/c1-16-8-13-21-22(14-16)27-23(26-21)15-18-9-11-19(12-10-18)25-24(28)17(2)29-20-6-4-3-5-7-20/h3-14,17H,15H2,1-2H3,(H,25,28)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins				Bioorg Med Chem Lett 21: 5255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.036 BindingDB Entry DOI: 10.7270/Q2ZP46HX
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435857 (CHEMBL2393579) Show SMILES COc1ccc2nc(C)cc(Nc3ccc(O)cc3)c2c1 Show InChI InChI=1S/C17H16N2O2/c1-11-9-17(19-12-3-5-13(20)6-4-12)15-10-14(21-2)7-8-16(15)18-11/h3-10,20H,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435854 (CHEMBL2393583) Show SMILES CC(N1CCC(CCC(=O)Nc2ccccc2)CC1)c1c[nH]nc1-c1ccccc1 Show InChI InChI=1S/C25H30N4O/c1-19(23-18-26-28-25(23)21-8-4-2-5-9-21)29-16-14-20(15-17-29)12-13-24(30)27-22-10-6-3-7-11-22/h2-11,18-20H,12-17H2,1H3,(H,26,28)(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435849 (CHEMBL2391046) Show SMILES Fc1cccc(Cl)c1CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C18H20ClFN2/c19-17-5-4-6-18(20)16(17)13-21-14-7-9-15(10-8-14)22-11-2-1-3-12-22/h4-10,21H,1-3,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435850 (CHEMBL2391045) Show SMILES C(Nc1ccc(cc1)N1CCCCC1)c1nc2ccccc2s1 Show InChI InChI=1S/C19H21N3S/c1-4-12-22(13-5-1)16-10-8-15(9-11-16)20-14-19-21-17-6-2-3-7-18(17)23-19/h2-3,6-11,20H,1,4-5,12-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435855 (CHEMBL2393581) Show SMILES OC(=O)[C@H](Cc1cc2ccccc2[nH]1)NCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C20H19N3O2/c24-20(25)19(10-15-9-13-5-1-3-7-17(13)23-15)22-12-14-11-21-18-8-4-2-6-16(14)18/h1-9,11,19,21-23H,10,12H2,(H,24,25)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435851 (CHEMBL2391044) Show SMILES Nc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C11H16N2/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435853 (CHEMBL2393584) Show SMILES Nc1nc(cs1)-c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C12H8N2O3S/c13-12-14-9(5-18-12)8-3-6-1-2-7(15)4-10(6)17-11(8)16/h1-5,15H,(H2,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435856 (CHEMBL2393580) Show SMILES CSCCNC1CCN(CC1)c1ccc(NC(=O)CCCCc2ccccc2)cc1 Show InChI InChI=1S/C25H35N3OS/c1-30-20-17-26-22-15-18-28(19-16-22)24-13-11-23(12-14-24)27-25(29)10-6-5-9-21-7-3-2-4-8-21/h2-4,7-8,11-14,22,26H,5-6,9-10,15-20H2,1H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair
Thioredoxin reductase (Mycobacterium tuberculosis)	BDBM50435852 (CHEMBL2393585) Show SMILES Nc1c(c(O)cn1-c1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C19H16N4O3S2/c20-18-17(19-22-15(11-27-19)12-4-2-1-3-5-12)16(24)10-23(18)13-6-8-14(9-7-13)28(21,25)26/h1-11,24H,20H2,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
MSD Animal Health Innovation GmbH Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis				J Med Chem 56: 4849-59 (2013) Article DOI: 10.1021/jm3015734 BindingDB Entry DOI: 10.7270/Q21C1Z88
					More data for this Ligand-Target Pair