Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'salmon-chemin' 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)	BDBM50087158 (5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES CCCCN(CCCC)CCCNC(=O)CCC=Cc1c(C)c(O)c2cccc(O)c2c1O |w:17.16| Show InChI InChI=1S/C27H40N2O4/c1-4-6-17-29(18-7-5-2)19-11-16-28-24(31)15-9-8-12-21-20(3)26(32)22-13-10-14-23(30)25(22)27(21)33/h8,10,12-14,30,32-33H,4-7,9,11,15-19H2,1-3H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Université Lille II Curated by ChEMBL					Assay Description Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrate				Bioorg Med Chem Lett 10: 631-5 (2000) BindingDB Entry DOI: 10.7270/Q2V9879F
					More data for this Ligand-Target Pair
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)	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	500	n/a	n/a	n/a	n/a	n/a	n/a
Université Lille II Curated by ChEMBL					Assay Description Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrate				Bioorg Med Chem Lett 10: 631-5 (2000) BindingDB Entry DOI: 10.7270/Q2V9879F
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50087156 (5-{3-[4-(3-Dibutylamino-propylcarbamoyl)-butyl]-8-...) Show SMILES CCCCN(CCCC)CCCNC(=O)CCCCc1c(O)c2cccc(O)c2c(O)c1C=CCCC(=O)NCCCN(CCCC)CCCC |w:33.35| Show InChI InChI=1S/C42H70N4O5/c1-5-9-28-45(29-10-6-2)32-18-26-43-38(48)24-15-13-20-34-35(42(51)40-36(41(34)50)22-17-23-37(40)47)21-14-16-25-39(49)44-27-19-33-46(30-11-7-3)31-12-8-4/h14,17,21-23,47,50-51H,5-13,15-16,18-20,24-33H2,1-4H3,(H,43,48)(H,44,49)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Université Lille II Curated by ChEMBL					Assay Description Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrate				Bioorg Med Chem Lett 10: 631-5 (2000) BindingDB Entry DOI: 10.7270/Q2V9879F
					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)	BDBM50087155 (5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES CCCCN(CCCC)CCCNC(=O)CCC=Cc1c(C)c(O)c2ccccc2c1O |w:17.16| Show InChI InChI=1S/C27H40N2O3/c1-4-6-18-29(19-7-5-2)20-12-17-28-25(30)16-11-10-13-22-21(3)26(31)23-14-8-9-15-24(23)27(22)32/h8-10,13-15,31-32H,4-7,11-12,16-20H2,1-3H3,(H,28,30)	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Lille II Curated by ChEMBL					Assay Description Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrate				Bioorg Med Chem Lett 10: 631-5 (2000) BindingDB Entry DOI: 10.7270/Q2V9879F
					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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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
Université Lille II Curated by ChEMBL					Assay Description Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrate				Bioorg Med Chem Lett 10: 631-5 (2000) BindingDB Entry DOI: 10.7270/Q2V9879F
					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

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