Compile Data Set for Download or QSAR

Found 242 hits of ic50 for UniProtKB: P28593   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Trypanothione reductase (Trypanosoma cruzi)	BDBM50615386 (CHEMBL5283195) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
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)	BDBM50070270 (CHEMBL279374 | Pentanedioic acid bis-[(3-{4-bromo-...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)Nc3cccc(Sc4ccc(Br)cc4NC(=O)CCN4CCN(C)CC4)c3)c2)CC1 Show InChI InChI=1S/C45H54Br2N8O4S2/c1-52-20-24-54(25-21-52)18-16-44(58)50-38-28-32(46)12-14-40(38)60-36-8-3-6-34(30-36)48-42(56)10-5-11-43(57)49-35-7-4-9-37(31-35)61-41-15-13-33(47)29-39(41)51-45(59)17-19-55-26-22-53(2)23-27-55/h3-4,6-9,12-15,28-31H,5,10-11,16-27H2,1-2H3,(H,48,56)(H,49,57)(H,50,58)(H,51,59)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070270 (CHEMBL279374 | Pentanedioic acid bis-[(3-{4-bromo-...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)Nc3cccc(Sc4ccc(Br)cc4NC(=O)CCN4CCN(C)CC4)c3)c2)CC1 Show InChI InChI=1S/C45H54Br2N8O4S2/c1-52-20-24-54(25-21-52)18-16-44(58)50-38-28-32(46)12-14-40(38)60-36-8-3-6-34(30-36)48-42(56)10-5-11-43(57)49-35-7-4-9-37(31-35)61-41-15-13-33(47)29-39(41)51-45(59)17-19-55-26-22-53(2)23-27-55/h3-4,6-9,12-15,28-31H,5,10-11,16-27H2,1-2H3,(H,48,56)(H,49,57)(H,50,58)(H,51,59)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					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)	BDBM50615388 (CHEMBL5280255) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178811 (CHEMBL199020 | N-(3-aminopropyl)-4-tert-butyl-N,N-...) Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCN Show InChI InChI=1S/C15H27N2/c1-15(2,3)13-7-9-14(10-8-13)17(4,5)12-6-11-16/h7-10H,6,11-12,16H2,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity aganist trypanothione reductase from Trypanosoma cruzi using 0.12 mM TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091160 (CHEMBL106127 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H24Cl3N2S/c1-29(2,16-17-8-10-19(26)20(27)14-17)13-5-12-28-21-6-3-4-7-23(21)30-24-11-9-18(25)15-22(24)28/h3-4,6-11,14-15H,5,12-13,16H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50615389 (CHEMBL5283514) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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)	BDBM50615385 (CHEMBL5270809) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50185388 (CHEMBL378900 | N-(3,3-diphenylpropyl)-1-3-[3-({7-[...) Show SMILES NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1 |w:21.23,37.38| Show InChI InChI=1S/C47H68N12/c48-44(58-46(50)56-36-28-42(38-20-8-4-9-21-38)39-22-10-5-11-23-39)54-34-18-32-52-30-16-2-1-3-17-31-53-33-19-35-55-45(49)59-47(51)57-37-29-43(40-24-12-6-13-25-40)41-26-14-7-15-27-41/h4-15,20-27,42-43,52-53H,1-3,16-19,28-37H2,(H5,48,50,54,56,58)(H5,49,51,55,57,59)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TR				Bioorg Med Chem Lett 16: 3229-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.048 BindingDB Entry DOI: 10.7270/Q2JH3KS7
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50335534 (1-(1-benzylpiperidin-4-yl)-3-(pyridin-3-yl)thioure...) Show SMILES S=C(NC1CCN(Cc2ccccc2)CC1)Nc1cccnc1 Show InChI InChI=1S/C18H22N4S/c23-18(21-17-7-4-10-19-13-17)20-16-8-11-22(12-9-16)14-15-5-2-1-3-6-15/h1-7,10,13,16H,8-9,11-12,14H2,(H2,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville campus) Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis				Antimicrob Agents Chemother 53: 2824-33 (2009) Article DOI: 10.1128/AAC.01568-08 BindingDB Entry DOI: 10.7270/Q2QV3MSN
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50615383 (CHEMBL5273760) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50335534 (1-(1-benzylpiperidin-4-yl)-3-(pyridin-3-yl)thioure...) Show SMILES S=C(NC1CCN(Cc2ccccc2)CC1)Nc1cccnc1 Show InChI InChI=1S/C18H22N4S/c23-18(21-17-7-4-10-19-13-17)20-16-8-11-22(12-9-16)14-15-5-2-1-3-6-15/h1-7,10,13,16H,8-9,11-12,14H2,(H2,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville campus) Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis				Antimicrob Agents Chemother 53: 2824-33 (2009) Article DOI: 10.1128/AAC.01568-08 BindingDB Entry DOI: 10.7270/Q2QV3MSN
					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)	BDBM50091163 (Benzhydryl-[3-(2-chloro-phenothiazin-10-yl)-propyl...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H30ClN2S/c1-33(2,30(23-12-5-3-6-13-23)24-14-7-4-8-15-24)21-11-20-32-26-16-9-10-17-28(26)34-29-19-18-25(31)22-27(29)32/h3-10,12-19,22,30H,11,20-21H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					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)	BDBM50185389 (CHEMBL209039 | N-(2,2-diphenylethyl)-1-3-[3-({7-[(...) Show SMILES NC(NC(=N)NCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NC(=N)NCC(c1ccccc1)c1ccccc1 |w:20.22,36.37| Show InChI InChI=1S/C45H64N12/c46-42(56-44(48)54-34-40(36-20-8-4-9-21-36)37-22-10-5-11-23-37)52-32-18-30-50-28-16-2-1-3-17-29-51-31-19-33-53-43(47)57-45(49)55-35-41(38-24-12-6-13-25-38)39-26-14-7-15-27-39/h4-15,20-27,40-41,50-51H,1-3,16-19,28-35H2,(H5,46,48,52,54,56)(H5,47,49,53,55,57)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TR				Bioorg Med Chem Lett 16: 3229-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.048 BindingDB Entry DOI: 10.7270/Q2JH3KS7
					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)	BDBM50070275 (CHEMBL17665 | Heptanedioic acid [3-(2-amino-phenyl...) Show SMILES CN1CCN(CCC(=O)Nc2ccccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4N)c3)c2)CC1 Show InChI InChI=1S/C39H46N6O3S2/c1-44-23-25-45(26-24-44)22-21-39(48)43-34-16-6-8-18-36(34)50-32-14-10-12-30(28-32)42-38(47)20-4-2-3-19-37(46)41-29-11-9-13-31(27-29)49-35-17-7-5-15-33(35)40/h5-18,27-28H,2-4,19-26,40H2,1H3,(H,41,46)(H,42,47)(H,43,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					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)	BDBM50335534 (1-(1-benzylpiperidin-4-yl)-3-(pyridin-3-yl)thioure...) Show SMILES S=C(NC1CCN(Cc2ccccc2)CC1)Nc1cccnc1 Show InChI InChI=1S/C18H22N4S/c23-18(21-17-7-4-10-19-13-17)20-16-8-11-22(12-9-16)14-15-5-2-1-3-6-15/h1-7,10,13,16H,8-9,11-12,14H2,(H2,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville campus) Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis				Antimicrob Agents Chemother 53: 2824-33 (2009) Article DOI: 10.1128/AAC.01568-08 BindingDB Entry DOI: 10.7270/Q2QV3MSN
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50177103 (1-(2'-chlorophenyl)penta-1,4-dien-3-one | CHEMBL22...) Show SMILES Clc1ccccc1\C=C\C(=O)C=C Show InChI InChI=1S/C11H9ClO/c1-2-10(13)8-7-9-5-3-4-6-11(9)12/h2-8H,1H2/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biochemie-Zentrum der Universität Heidelberg Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase after 5 mins preincubation with NADPH in presence of 100 uM TS2 substrate				J Med Chem 48: 7400-10 (2005) Article DOI: 10.1021/jm0504860 BindingDB Entry DOI: 10.7270/Q23X8662
					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)	BDBM50185394 (CHEMBL379701 | N-(3,3-diphenyl-propyl)-N'-[3-(7-{3...) Show SMILES NC(NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NCCC(c1ccccc1)c1ccccc1 |w:18.20,34.35| Show InChI InChI=1S/C45H64N8/c46-44(52-36-28-42(38-20-8-4-9-21-38)39-22-10-5-11-23-39)50-34-18-32-48-30-16-2-1-3-17-31-49-33-19-35-51-45(47)53-37-29-43(40-24-12-6-13-25-40)41-26-14-7-15-27-41/h4-15,20-27,42-43,48-49H,1-3,16-19,28-37H2,(H3,46,50,52)(H3,47,51,53)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TR				Bioorg Med Chem Lett 16: 3229-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.048 BindingDB Entry DOI: 10.7270/Q2JH3KS7
					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)	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)	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)	BDBM50185393 (CHEMBL210371 | N-(2,2-diphenylethyl)-1-3-[3-({4-[(...) Show SMILES NC(NC(=N)NCC(c1ccccc1)c1ccccc1)=NCCCNCCCCNCCCN=C(N)NC(=N)NCC(c1ccccc1)c1ccccc1 |w:20.22,33.34| Show InChI InChI=1S/C42H58N12/c43-39(53-41(45)51-31-37(33-17-5-1-6-18-33)34-19-7-2-8-20-34)49-29-15-27-47-25-13-14-26-48-28-16-30-50-40(44)54-42(46)52-32-38(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-12,17-24,37-38,47-48H,13-16,25-32H2,(H5,43,45,49,51,53)(H5,44,46,50,52,54)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TR				Bioorg Med Chem Lett 16: 3229-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.048 BindingDB Entry DOI: 10.7270/Q2JH3KS7
					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)	BDBM50091148 (CHEMBL106769 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES COc1ccc2c(C[N+](C)(C)CCCN3c4ccccc4Sc4ccc(Cl)cc34)cc(=O)oc2c1 Show InChI InChI=1S/C28H28ClN2O3S/c1-31(2,18-19-15-28(32)34-25-17-21(33-3)10-11-22(19)25)14-6-13-30-23-7-4-5-8-26(23)35-27-12-9-20(29)16-24(27)30/h4-5,7-12,15-17H,6,13-14,18H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50185400 (CHEMBL378136 | N-(3,3-diphenylpropyl)-1-3-[3-({4-[...) Show SMILES NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1 |w:21.23,34.35| Show InChI InChI=1S/C44H62N12/c45-41(55-43(47)53-33-25-39(35-17-5-1-6-18-35)36-19-7-2-8-20-36)51-31-15-29-49-27-13-14-28-50-30-16-32-52-42(46)56-44(48)54-34-26-40(37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-12,17-24,39-40,49-50H,13-16,25-34H2,(H5,45,47,51,53,55)(H5,46,48,52,54,56)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TR				Bioorg Med Chem Lett 16: 3229-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.048 BindingDB Entry DOI: 10.7270/Q2JH3KS7
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50185397 (CHEMBL380857 | N-(3,3-diphenyl-propyl)-N'-[3-(4-{3...) Show SMILES NC(NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCNCCCN=C(N)NCCC(c1ccccc1)c1ccccc1 |w:18.20,31.32| Show InChI InChI=1S/C42H58N8/c43-41(49-33-25-39(35-17-5-1-6-18-35)36-19-7-2-8-20-36)47-31-15-29-45-27-13-14-28-46-30-16-32-48-42(44)50-34-26-40(37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-12,17-24,39-40,45-46H,13-16,25-34H2,(H3,43,47,49)(H3,44,48,50)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TR				Bioorg Med Chem Lett 16: 3229-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.048 BindingDB Entry DOI: 10.7270/Q2JH3KS7
					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)	BDBM50104660 (CHEMBL90820 | Naphthalene-2-sulfonic acid [3-(6-ch...) Show SMILES COc1ccc2nc3cc(Cl)ccc3c(NCCCNS(=O)(=O)c3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C27H24ClN3O3S/c1-34-21-9-12-25-24(17-21)27(23-11-8-20(28)16-26(23)31-25)29-13-4-14-30-35(32,33)22-10-7-18-5-2-3-6-19(18)15-22/h2-3,5-12,15-17,30H,4,13-14H2,1H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypanothione reductase was determined				Bioorg Med Chem Lett 11: 2655-7 (2001) BindingDB Entry DOI: 10.7270/Q2154G90
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50070268 (CHEMBL276829 | Heptanedioic acid (3-{4-bromo-2-[3-...) Show SMILES CN(C)Cc1ccc(Nc2ccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccc(Br)cc4NC(=O)CCN4CCN(C)CC4)c3)c3C(=O)c4ccccc4C(=O)c23)cc1 Show InChI InChI=1S/C50H54BrN7O5S/c1-56(2)32-33-16-19-35(20-17-33)52-40-21-22-41(48-47(40)49(62)38-12-7-8-13-39(38)50(48)63)54-45(60)15-6-4-5-14-44(59)53-36-10-9-11-37(31-36)64-43-23-18-34(51)30-42(43)55-46(61)24-25-58-28-26-57(3)27-29-58/h7-13,16-23,30-31,52H,4-6,14-15,24-29,32H2,1-3H3,(H,53,59)(H,54,60)(H,55,61)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50185401 (CHEMBL207163 | N-(2,2-diphenyl-ethyl)-N'-[3-(3-{3-...) Show SMILES NC(NCC(c1ccccc1)c1ccccc1)=NCCCNCCCNCCCN=C(N)NCC(c1ccccc1)c1ccccc1 |w:17.19,29.30| Show InChI InChI=1S/C39H52N8/c40-38(46-30-36(32-16-5-1-6-17-32)33-18-7-2-8-19-33)44-28-14-26-42-24-13-25-43-27-15-29-45-39(41)47-31-37(34-20-9-3-10-21-34)35-22-11-4-12-23-35/h1-12,16-23,36-37,42-43H,13-15,24-31H2,(H3,40,44,46)(H3,41,45,47)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TR				Bioorg Med Chem Lett 16: 3229-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.048 BindingDB Entry DOI: 10.7270/Q2JH3KS7
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50185396 (CHEMBL207396 | N-(3,3-diphenylpropyl)-1-3-[3-({3-[...) Show SMILES NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1 |w:21.23,33.34| Show InChI InChI=1S/C43H60N12/c44-40(54-42(46)52-32-24-38(34-16-5-1-6-17-34)35-18-7-2-8-19-35)50-30-14-28-48-26-13-27-49-29-15-31-51-41(45)55-43(47)53-33-25-39(36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-12,16-23,38-39,48-49H,13-15,24-33H2,(H5,44,46,50,52,54)(H5,45,47,51,53,55)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TR				Bioorg Med Chem Lett 16: 3229-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.048 BindingDB Entry DOI: 10.7270/Q2JH3KS7
					More data for this Ligand-Target Pair

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