Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'kohler' and Initial = 's'   

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)	BDBM50087157 (5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(=O)NCCCNCCCNC(=O)CCC=Cc1c(C)c(O)c2cccc(O)c2c1O |w:34.36,15.17| Show InChI InChI=1S/C38H45N3O8/c1-23-25(37(48)33-27(35(23)46)13-7-15-29(33)42)11-3-5-17-31(44)40-21-9-19-39-20-10-22-41-32(45)18-6-4-12-26-24(2)36(47)28-14-8-16-30(43)34(28)38(26)49/h3-4,7-8,11-16,39,42-43,46-49H,5-6,9-10,17-22H2,1-2H3,(H,40,44)(H,41,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096063 (6-(5-Hydroxy-3-{5-[3-(4-methyl-piperazin-1-yl)-pro...) Show SMILES CN1CCN(CCCNC(=O)CCCCCc2c(O)c3cccc(O)c3c(O)c2C=CCCCC(=O)NCCCN2CCN(C)CC2)CC1 |w:30.32| Show InChI InChI=1S/C38H60N6O5/c1-41-22-26-43(27-23-41)20-10-18-39-34(46)16-7-3-5-12-30-31(38(49)36-32(37(30)48)14-9-15-33(36)45)13-6-4-8-17-35(47)40-19-11-21-44-28-24-42(2)25-29-44/h6,9,13-15,45,48-49H,3-5,7-8,10-12,16-29H2,1-2H3,(H,39,46)(H,40,47)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096043 (5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCC(=O)NCCCN1CCN(CCCNC(=O)CCC=Cc2c(C)c(O)c3ccccc3c2O)CC1 |w:36.38,14.16| Show InChI InChI=1S/C42H52N4O6/c1-29-31(41(51)35-17-5-3-15-33(35)39(29)49)13-7-9-19-37(47)43-21-11-23-45-25-27-46(28-26-45)24-12-22-44-38(48)20-10-8-14-32-30(2)40(50)34-16-4-6-18-36(34)42(32)52/h3-8,13-18,49-52H,9-12,19-28H2,1-2H3,(H,43,47)(H,44,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096064 (5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCC(=O)NCCCCNCCCNC(=O)CCC=Cc1c(C)c(O)c2ccccc2c1O |w:34.36,14.16| Show InChI InChI=1S/C39H47N3O6/c1-26-28(38(47)32-18-5-3-16-30(32)36(26)45)14-7-9-20-34(43)41-24-12-11-22-40-23-13-25-42-35(44)21-10-8-15-29-27(2)37(46)31-17-4-6-19-33(31)39(29)48/h3-8,14-19,40,45-48H,9-13,20-25H2,1-2H3,(H,41,43)(H,42,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096061 (6-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(=O)NCCCCNCCCNC(=O)CCCC=Cc1c(C)c(O)c2cccc(O)c2c1O |w:14.15,36.37| Show InChI InChI=1S/C41H51N3O8/c1-26-28(40(51)36-30(38(26)49)16-11-18-32(36)45)14-5-3-7-20-34(47)43-24-10-9-22-42-23-13-25-44-35(48)21-8-4-6-15-29-27(2)39(50)31-17-12-19-33(46)37(31)41(29)52/h5-6,11-12,14-19,42,45-46,49-52H,3-4,7-10,13,20-25H2,1-2H3,(H,43,47)(H,44,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096024 (6-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(=O)NCCCN1CCN(CCCNC(=O)CCCC=Cc2c(C)c(O)c3cccc(O)c3c2O)CC1 |w:39.41,15.17| Show InChI InChI=1S/C44H56N4O8/c1-29-31(43(55)39-33(41(29)53)15-9-17-35(39)49)13-5-3-7-19-37(51)45-21-11-23-47-25-27-48(28-26-47)24-12-22-46-38(52)20-8-4-6-14-32-30(2)42(54)34-16-10-18-36(50)40(34)44(32)56/h5-6,9-10,13-18,49-50,53-56H,3-4,7-8,11-12,19-28H2,1-2H3,(H,45,51)(H,46,52)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096012 (6-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(=O)NCCCCNCCCNC(=O)CCCC=Cc1c(C)c(O)c2ccccc2c1O |w:13.14,35.36| Show InChI InChI=1S/C41H51N3O6/c1-28-30(40(49)34-20-11-9-18-32(34)38(28)47)16-5-3-7-22-36(45)43-26-14-13-24-42-25-15-27-44-37(46)23-8-4-6-17-31-29(2)39(48)33-19-10-12-21-35(33)41(31)50/h5-6,9-12,16-21,42,47-50H,3-4,7-8,13-15,22-27H2,1-2H3,(H,43,45)(H,44,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096076 (5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(=O)NCCCCNCCCNC(=O)CCC=Cc1c(C)c(O)c2cccc(O)c2c1O |w:14.15,34.35| Show InChI InChI=1S/C39H47N3O8/c1-24-26(38(49)34-28(36(24)47)14-9-16-30(34)43)12-3-5-18-32(45)41-22-8-7-20-40-21-11-23-42-33(46)19-6-4-13-27-25(2)37(48)29-15-10-17-31(44)35(29)39(27)50/h3-4,9-10,12-17,40,43-44,47-50H,5-8,11,18-23H2,1-2H3,(H,41,45)(H,42,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096023 (3-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CC(=O)NCCCNCCCNC(=O)C=Cc1c(C)c(O)c2cccc(O)c2c1O |w:30.32,15.17| Show InChI InChI=1S/C34H37N3O8/c1-19-21(33(44)29-23(31(19)42)7-3-9-25(29)38)11-13-27(40)36-17-5-15-35-16-6-18-37-28(41)14-12-22-20(2)32(43)24-8-4-10-26(39)30(24)34(22)45/h3-4,7-14,35,38-39,42-45H,5-6,15-18H2,1-2H3,(H,36,40)(H,37,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096021 (6-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(=O)NCCCNCCCNC(=O)CCCC=Cc1c(C)c(O)c2cccc(O)c2c1O |w:36.38,15.17| Show InChI InChI=1S/C40H49N3O8/c1-25-27(39(50)35-29(37(25)48)15-9-17-31(35)44)13-5-3-7-19-33(46)42-23-11-21-41-22-12-24-43-34(47)20-8-4-6-14-28-26(2)38(49)30-16-10-18-32(45)36(30)40(28)51/h5-6,9-10,13-18,41,44-45,48-51H,3-4,7-8,11-12,19-24H2,1-2H3,(H,42,46)(H,43,47)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096059 (4-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCC(=O)NCCCNCCCNC(=O)CC=Cc1c(C)c(O)c2cccc(O)c2c1O |w:32.34,15.17| Show InChI InChI=1S/C36H41N3O8/c1-21-23(35(46)31-25(33(21)44)11-3-13-27(31)40)9-5-15-29(42)38-19-7-17-37-18-8-20-39-30(43)16-6-10-24-22(2)34(45)26-12-4-14-28(41)32(26)36(24)47/h3-6,9-14,37,40-41,44-47H,7-8,15-20H2,1-2H3,(H,38,42)(H,39,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096017 (4-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCC(=O)NCCCN1CCN(CCCNC(=O)CC=Cc2c(C)c(O)c3cccc(O)c3c2O)CC1 |w:35.37,15.17| Show InChI InChI=1S/C40H48N4O8/c1-25-27(39(51)35-29(37(25)49)11-3-13-31(35)45)9-5-15-33(47)41-17-7-19-43-21-23-44(24-22-43)20-8-18-42-34(48)16-6-10-28-26(2)38(50)30-12-4-14-32(46)36(30)40(28)52/h3-6,9-14,45-46,49-52H,7-8,15-24H2,1-2H3,(H,41,47)(H,42,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096078 (4-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCC(=O)NCCCCNCCCNC(=O)CC=Cc1c(C)c(O)c2cccc(O)c2c1O |w:14.15,32.33| Show InChI InChI=1S/C37H43N3O8/c1-22-24(36(47)32-26(34(22)45)12-5-14-28(32)41)10-7-16-30(43)39-20-4-3-18-38-19-9-21-40-31(44)17-8-11-25-23(2)35(46)27-13-6-15-29(42)33(27)37(25)48/h5-8,10-15,38,41-42,45-48H,3-4,9,16-21H2,1-2H3,(H,39,43)(H,40,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096048 (6-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(=O)NCCCNCCCNC(=O)CCCC=Cc1c(C)c(O)c2ccccc2c1O |w:35.37,14.16| Show InChI InChI=1S/C40H49N3O6/c1-27-29(39(48)33-19-11-9-17-31(33)37(27)46)15-5-3-7-21-35(44)42-25-13-23-41-24-14-26-43-36(45)22-8-4-6-16-30-28(2)38(47)32-18-10-12-20-34(32)40(30)49/h5-6,9-12,15-20,41,46-49H,3-4,7-8,13-14,21-26H2,1-2H3,(H,42,44)(H,43,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096075 (5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(=O)NCCCN1CCN(CCCNC(=O)CCC=Cc2c(C)c(O)c3cccc(O)c3c2O)CC1 |w:37.39,15.17| Show InChI InChI=1S/C42H52N4O8/c1-27-29(41(53)37-31(39(27)51)13-7-15-33(37)47)11-3-5-17-35(49)43-19-9-21-45-23-25-46(26-24-45)22-10-20-44-36(50)18-6-4-12-30-28(2)40(52)32-14-8-16-34(48)38(32)42(30)54/h3-4,7-8,11-16,47-48,51-54H,5-6,9-10,17-26H2,1-2H3,(H,43,49)(H,44,50)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096051 (3-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CC(=O)NCCCN1CCN(CCCNC(=O)C=Cc2c(C)c(O)c3cccc(O)c3c2O)CC1 |w:33.35,15.17| Show InChI InChI=1S/C38H44N4O8/c1-23-25(37(49)33-27(35(23)47)7-3-9-29(33)43)11-13-31(45)39-15-5-17-41-19-21-42(22-20-41)18-6-16-40-32(46)14-12-26-24(2)36(48)28-8-4-10-30(44)34(28)38(26)50/h3-4,7-14,43-44,47-50H,5-6,15-22H2,1-2H3,(H,39,45)(H,40,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096052 (3-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CC(=O)NCCCCNCCCNC(=O)C=Cc1c(C)c(O)c2ccccc2c1O |w:30.32,14.16| Show InChI InChI=1S/C35H39N3O6/c1-22-24(34(43)28-12-5-3-10-26(28)32(22)41)14-16-30(39)37-20-8-7-18-36-19-9-21-38-31(40)17-15-25-23(2)33(42)27-11-4-6-13-29(27)35(25)44/h3-6,10-17,36,41-44H,7-9,18-21H2,1-2H3,(H,37,39)(H,38,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096056 (5-Hydroxy-2,3-bis-[6-(4-methyl-piperazin-1-yl)-6-o...) Show SMILES CN1CCN(CC1)C(=O)CCCCCc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(=O)N1CCN(C)CC1 |w:28.31| Show InChI InChI=1S/C32H46N4O5/c1-33-16-20-35(21-17-33)28(38)14-7-3-5-10-24-25(32(41)30-26(31(24)40)12-9-13-27(30)37)11-6-4-8-15-29(39)36-22-18-34(2)19-23-36/h6,9,11-13,37,40-41H,3-5,7-8,10,14-23H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096036 (3-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CC(=O)NCCCCNCCCNC(=O)C=Cc1c(C)c(O)c2cccc(O)c2c1O |w:31.33,15.17| Show InChI InChI=1S/C35H39N3O8/c1-20-22(34(45)30-24(32(20)43)8-5-10-26(30)39)12-14-28(41)37-18-4-3-16-36-17-7-19-38-29(42)15-13-23-21(2)33(44)25-9-6-11-27(40)31(25)35(23)46/h5-6,8-15,36,39-40,43-46H,3-4,7,16-19H2,1-2H3,(H,37,41)(H,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096047 (6-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(=O)NCCCN1CCN(CCCNC(=O)CCCC=Cc2c(C)c(O)c3ccccc3c2O)CC1 |w:38.40,14.16| Show InChI InChI=1S/C44H56N4O6/c1-31-33(43(53)37-19-11-9-17-35(37)41(31)51)15-5-3-7-21-39(49)45-23-13-25-47-27-29-48(30-28-47)26-14-24-46-40(50)22-8-4-6-16-34-32(2)42(52)36-18-10-12-20-38(36)44(34)54/h5-6,9-12,15-20,51-54H,3-4,7-8,13-14,21-30H2,1-2H3,(H,45,49)(H,46,50)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096040 (3-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CC(=O)NCCCN1CCN(CCCNC(=O)C=Cc2c(C)c(O)c3ccccc3c2O)CC1 |w:32.34,14.16| Show InChI InChI=1S/C38H44N4O6/c1-25-27(37(47)31-11-5-3-9-29(31)35(25)45)13-15-33(43)39-17-7-19-41-21-23-42(24-22-41)20-8-18-40-34(44)16-14-28-26(2)36(46)30-10-4-6-12-32(30)38(28)48/h3-6,9-16,45-48H,7-8,17-24H2,1-2H3,(H,39,43)(H,40,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096025 (4-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCC(=O)NCCCCNCCCNC(=O)CC=Cc1c(C)c(O)c2ccccc2c1O |w:13.14,31.32| Show InChI InChI=1S/C37H43N3O6/c1-24-26(36(45)30-14-5-3-12-28(30)34(24)43)16-9-18-32(41)39-22-8-7-20-38-21-11-23-40-33(42)19-10-17-27-25(2)35(44)29-13-4-6-15-31(29)37(27)46/h3-6,9-10,12-17,38,43-46H,7-8,11,18-23H2,1-2H3,(H,39,41)(H,40,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096069 (4-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCC(=O)NCCCN1CCN(CCCNC(=O)CC=Cc2c(C)c(O)c3ccccc3c2O)CC1 |w:34.36,14.16| Show InChI InChI=1S/C40H48N4O6/c1-27-29(39(49)33-13-5-3-11-31(33)37(27)47)15-7-17-35(45)41-19-9-21-43-23-25-44(26-24-43)22-10-20-42-36(46)18-8-16-30-28(2)38(48)32-12-4-6-14-34(32)40(30)50/h3-8,11-16,47-50H,9-10,17-26H2,1-2H3,(H,41,45)(H,42,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096010 (3-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CC(=O)NCCCNCCCNC(=O)C=Cc1c(C)c(O)c2ccccc2c1O |w:29.31,14.16| Show InChI InChI=1S/C34H37N3O6/c1-21-23(33(42)27-11-5-3-9-25(27)31(21)40)13-15-29(38)36-19-7-17-35-18-8-20-37-30(39)16-14-24-22(2)32(41)26-10-4-6-12-28(26)34(24)43/h3-6,9-16,35,40-43H,7-8,17-20H2,1-2H3,(H,36,38)(H,37,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096011 (5-Hydroxy-2,3-bis-[5-(4-methyl-piperazin-1-yl)-5-o...) Show SMILES CN1CCN(CC1)C(=O)CCCCc1c(O)c2cccc(O)c2c(O)c1C=CCCC(=O)N1CCN(C)CC1 |w:27.30| Show InChI InChI=1S/C30H42N4O5/c1-31-14-18-33(19-15-31)26(36)12-5-3-8-22-23(30(39)28-24(29(22)38)10-7-11-25(28)35)9-4-6-13-27(37)34-20-16-32(2)17-21-34/h4,7,9-11,35,38-39H,3,5-6,8,12-21H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096044 (2-{3-[4-(3-Amino-propyl)-piperazin-1-yl]-propylami...) Show SMILES Cc1c(O)c2ccccc2c(O)c1N=CCCN1CCN(CCCN)CC1 |w:14.16| Show InChI InChI=1S/C21H30N4O2/c1-16-19(21(27)18-7-3-2-6-17(18)20(16)26)23-9-5-11-25-14-12-24(13-15-25)10-4-8-22/h2-3,6-7,9,26-27H,4-5,8,10-15,22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096079 (5-(5-Hydroxy-3-{4-[3-(4-methyl-piperazin-1-yl)-pro...) Show SMILES CN1CCN(CCCNC(=O)CCCCc2c(O)c3cccc(O)c3c(O)c2C=CCCC(=O)NCCCN2CCN(C)CC2)CC1 |w:29.31| Show InChI InChI=1S/C36H56N6O5/c1-39-20-24-41(25-21-39)18-8-16-37-32(44)14-5-3-10-28-29(36(47)34-30(35(28)46)12-7-13-31(34)43)11-4-6-15-33(45)38-17-9-19-42-26-22-40(2)23-27-42/h4,7,11-13,43,46-47H,3,5-6,8-10,14-27H2,1-2H3,(H,37,44)(H,38,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096042 (2-methyl-3-(3-{4-[3-(3-methyl-1,4-dioxo-1,4-dihydr...) Show SMILES Cc1c(O)c2ccccc2c(O)c1N=CCCNCCCCNCCC=Nc1c(C)c(O)c2ccccc2c1O |w:26.28,14.16| Show InChI InChI=1S/C32H38N4O4/c1-21-27(31(39)25-13-5-3-11-23(25)29(21)37)35-19-9-17-33-15-7-8-16-34-18-10-20-36-28-22(2)30(38)24-12-4-6-14-26(24)32(28)40/h3-6,11-14,19-20,33-34,37-40H,7-10,15-18H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096039 (2-{3-[4-(3-Amino-propyl)-piperazin-1-yl]-propylami...) Show SMILES Cc1c(O)c2ccccc2c(O)c1N=CCCNCCC=Nc1c(C)c(O)c2ccccc2c1O |w:21.23,14.16| Show InChI InChI=1S/C28H29N3O4/c1-17-23(27(34)21-11-5-3-9-19(21)25(17)32)30-15-7-13-29-14-8-16-31-24-18(2)26(33)20-10-4-6-12-22(20)28(24)35/h3-6,9-12,15-16,29,32-35H,7-8,13-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096083 (2-{3-[4-(3-Amino-propyl)-piperazin-1-yl]-propylami...) Show SMILES Cc1c(O)c2ccccc2c(O)c1N=CCCN1CCN(CCC=Nc2c(C)c(O)c3ccccc3c2O)CC1 |w:24.26,14.16| Show InChI InChI=1S/C32H36N4O4/c1-21-27(31(39)25-11-5-3-9-23(25)29(21)37)33-13-7-15-35-17-19-36(20-18-35)16-8-14-34-28-22(2)30(38)24-10-4-6-12-26(24)32(28)40/h3-6,9-14,37-40H,7-8,15-20H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096019 (4-(5-Hydroxy-3-{3-[3-(4-methyl-piperazin-1-yl)-pro...) Show SMILES CN1CCN(CCCNC(=O)CCCc2c(O)c3cccc(O)c3c(O)c2C=CCC(=O)NCCCN2CCN(C)CC2)CC1 |w:28.30| Show InChI InChI=1S/C34H52N6O5/c1-37-18-22-39(23-19-37)16-6-14-35-30(42)12-4-8-26-27(34(45)32-28(33(26)44)10-3-11-29(32)41)9-5-13-31(43)36-15-7-17-40-24-20-38(2)21-25-40/h3,5,9-11,41,44-45H,4,6-8,12-25H2,1-2H3,(H,35,42)(H,36,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096020 (4-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCC(=O)NCCCNCCCNC(=O)CC=Cc1c(C)c(O)c2ccccc2c1O |w:31.33,14.16| Show InChI InChI=1S/C36H41N3O6/c1-23-25(35(44)29-13-5-3-11-27(29)33(23)42)15-7-17-31(40)38-21-9-19-37-20-10-22-39-32(41)18-8-16-26-24(2)34(43)28-12-4-6-14-30(28)36(26)45/h3-8,11-16,37,42-45H,9-10,17-22H2,1-2H3,(H,38,40)(H,39,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096031 (2-[3-(3-Amino-propylamino)-propylamino]-3-methyl-[...) Show SMILES Cc1c(O)c2ccccc2c(O)c1N=CCCNCCCN |w:14.16| Show InChI InChI=1S/C17H23N3O2/c1-12-15(20-11-5-10-19-9-4-8-18)17(22)14-7-3-2-6-13(14)16(12)21/h2-3,6-7,11,19,21-22H,4-5,8-10,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096050 (3-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES CN1CCN(CCCNC(=O)C=Cc2c(C)c(O)c3cccc(O)c3c2O)CC1 |w:11.10| Show InChI InChI=1S/C22H29N3O4/c1-15-16(22(29)20-17(21(15)28)5-3-6-18(20)26)7-8-19(27)23-9-4-10-25-13-11-24(2)12-14-25/h3,5-8,26,28-29H,4,9-14H2,1-2H3,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096034 (5-Hydroxy-2,3-bis-[4-(4-methyl-piperazin-1-yl)-4-o...) Show SMILES CN1CCN(CC1)C(=O)CCCc1c(O)c2cccc(O)c2c(O)c1C=CCC(=O)N1CCN(C)CC1 |w:26.29| Show InChI InChI=1S/C28H38N4O5/c1-29-12-16-31(17-13-29)24(34)10-4-6-20-21(7-5-11-25(35)32-18-14-30(2)15-19-32)28(37)26-22(27(20)36)8-3-9-23(26)33/h3,5,7-9,33,36-37H,4,6,10-19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096070 (5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCC(=O)NCCCNCCCNC(=O)CCC=Cc1c(C)c(O)c2ccccc2c1O |w:33.35,14.16| Show InChI InChI=1S/C38H45N3O6/c1-25-27(37(46)31-17-5-3-15-29(31)35(25)44)13-7-9-19-33(42)40-23-11-21-39-22-12-24-41-34(43)20-10-8-14-28-26(2)36(45)30-16-4-6-18-32(30)38(28)47/h3-8,13-18,39,44-47H,9-12,19-24H2,1-2H3,(H,40,42)(H,41,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096080 (CHEMBL151680 | [3-(8-Hydroxy-3-methyl-1,4-dioxo-1,...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCNC(=O)OC(C)(C)C |w:15.17| Show InChI InChI=1S/C19H23NO5/c1-11-12(8-6-10-20-18(24)25-19(2,3)4)17(23)15-13(16(11)22)7-5-9-14(15)21/h5-9,21-23H,10H2,1-4H3,(H,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096072 (CHEMBL153287 | [4-(3-Methyl-1,4-dioxo-1,4-dihydro-...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCNC(=O)OC(C)(C)C |w:14.16| Show InChI InChI=1S/C20H25NO4/c1-13-14(9-7-8-12-21-19(24)25-20(2,3)4)18(23)16-11-6-5-10-15(16)17(13)22/h5-7,9-11,22-23H,8,12H2,1-4H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096046 (CHEMBL154224 | [2-(8-Hydroxy-3-methyl-1,4-dioxo-1,...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1CC=NC(=O)OC(C)(C)C |w:16.18| Show InChI InChI=1S/C18H21NO5/c1-10-11(8-9-19-17(23)24-18(2,3)4)16(22)14-12(15(10)21)6-5-7-13(14)20/h5-7,9,20-22H,8H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096045 (CHEMBL152753 | [4-(8-Hydroxy-3-methyl-1,4-dioxo-1,...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCNC(=O)OC(C)(C)C |w:15.17| Show InChI InChI=1S/C20H25NO5/c1-12-13(8-5-6-11-21-19(25)26-20(2,3)4)18(24)16-14(17(12)23)9-7-10-15(16)22/h5,7-10,22-24H,6,11H2,1-4H3,(H,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096013 (CHEMBL152532 | [5-(8-Hydroxy-3-methyl-1,4-dioxo-1,...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCNC(=O)OC(C)(C)C |w:15.17| Show InChI InChI=1S/C21H27NO5/c1-13-14(9-6-5-7-12-22-20(26)27-21(2,3)4)19(25)17-15(18(13)24)10-8-11-16(17)23/h6,8-11,23-25H,5,7,12H2,1-4H3,(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096026 (2-{3-[4-(3-Amino-propylamino)-butylamino]-propylam...) Show SMILES Cc1c(O)c2ccccc2c(O)c1N=CCCNCCCCNCCCN |w:14.16| Show InChI InChI=1S/C21H32N4O2/c1-16-19(21(27)18-9-3-2-8-17(18)20(16)26)25-15-7-14-24-12-5-4-11-23-13-6-10-22/h2-3,8-9,15,23-24,26-27H,4-7,10-14,22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50012070 (5-Hydroxy-2-methyl-[1,4]naphthoquinone | 5-hydroxy...) Show SMILES CC1=CC(=O)c2c(O)cccc2C1=O |t:1| Show InChI InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096058 (3-{3-[4-(3-Amino-propylamino)-butylamino]-propylam...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1N=CCCNCCCCNCCCN |w:15.17| Show InChI InChI=1S/C21H32N4O3/c1-15-19(21(28)18-16(20(15)27)7-4-8-17(18)26)25-14-6-13-24-11-3-2-10-23-12-5-9-22/h4,7-8,14,23-24,26-28H,2-3,5-6,9-13,22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096041 (4-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES CN1CCN(CCCNC(=O)CC=Cc2c(C)c(O)c3cccc(O)c3c2O)CC1 |w:12.11| Show InChI InChI=1S/C23H31N3O4/c1-16-17(23(30)21-18(22(16)29)7-3-8-19(21)27)6-4-9-20(28)24-10-5-11-26-14-12-25(2)13-15-26/h3-4,6-8,27,29-30H,5,9-15H2,1-2H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096015 (3-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES CN1CCN(CCCNC(=O)C=Cc2c(C)c(O)c3ccccc3c2O)CC1 |w:11.10| Show InChI InChI=1S/C22H29N3O3/c1-16-17(22(28)19-7-4-3-6-18(19)21(16)27)8-9-20(26)23-10-5-11-25-14-12-24(2)13-15-25/h3-4,6-9,27-28H,5,10-15H2,1-2H3,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096074 (3-{3-[4-(3-Amino-propyl)-piperazin-1-yl]-propylami...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1N=CCCN1CCN(CCCN)CC1 |w:15.17| Show InChI InChI=1S/C21H30N4O3/c1-15-19(21(28)18-16(20(15)27)5-2-6-17(18)26)23-8-4-10-25-13-11-24(12-14-25)9-3-7-22/h2,5-6,8,26-28H,3-4,7,9-14,22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096014 (5-Hydroxy-2-methyl-3-[4-(4-methyl-piperazin-1-yl)-...) Show SMILES CN1CCN(CC1)C(=O)CC=Cc1c(C)c(O)c2cccc(O)c2c1O |w:10.10| Show InChI InChI=1S/C20H24N2O4/c1-13-14(5-4-8-17(24)22-11-9-21(2)10-12-22)20(26)18-15(19(13)25)6-3-7-16(18)23/h3-7,23,25-26H,8-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096060 (4-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES CN1CCN(CCCNC(=O)CC=Cc2c(C)c(O)c3ccccc3c2O)CC1 |w:12.11| Show InChI InChI=1S/C23H31N3O3/c1-17-18(23(29)20-8-4-3-7-19(20)22(17)28)9-5-10-21(27)24-11-6-12-26-15-13-25(2)14-16-26/h3-5,7-9,28-29H,6,10-16H2,1-2H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096081 (4-[3-(3-Carboxy-propyl)-1,4-dioxo-1,4-dihydro-naph...) Show SMILES OC(=O)CCCc1c(O)c2ccccc2c(O)c1C=CCC(O)=O |w:19.21| Show InChI InChI=1S/C18H18O6/c19-15(20)9-3-7-13-14(8-4-10-16(21)22)18(24)12-6-2-1-5-11(12)17(13)23/h1-3,5-7,23-24H,4,8-10H2,(H,19,20)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS - Université Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.				J Med Chem 44: 548-65 (2001) BindingDB Entry DOI: 10.7270/Q2MC8Z7R
					More data for this Ligand-Target Pair

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