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Found 408 hits Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' AND taxid = 5693   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50093208
PNG
(2-(5-Bromo-1H-indol-3-yl)-N-[3-(4-{3-[2-(5-bromo-1...)
Show SMILES Brc1ccc2[nH]cc(CC(=O)NCCCNCCCCNCCCNC(=O)Cc3c[nH]c4ccc(Br)cc34)c2c1
Show InChI InChI=1S/C30H38Br2N6O2/c31-23-5-7-27-25(17-23)21(19-37-27)15-29(39)35-13-3-11-33-9-1-2-10-34-12-4-14-36-30(40)16-22-20-38-28-8-6-24(32)18-26(22)28/h5-8,17-20,33-34,37-38H,1-4,9-16H2,(H,35,39)(H,36,40)
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76n/an/an/an/an/an/an/an/a



University of Southamton

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of trypanothione reductase enzyme


Bioorg Med Chem Lett 10: 2367-9 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50240622
PNG
(3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydr...)
Show SMILES Oc1ccc(CCC(=O)NCCCNCCCCNCCCNC(=O)CCc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)
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76n/an/an/an/an/an/an/an/a



University of Southamton

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of trypanothione reductase enzyme


Bioorg Med Chem Lett 10: 2367-9 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091160
PNG
(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
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120n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178811
PNG
(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
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150n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50096495
PNG
(CHEMBL85161 | N-{3-[Bis-(3-phenyl-propyl)-amino]-p...)
Show SMILES C(CCN(CCCN(CCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1)CN(CCCNCCCc1ccccc1)CCCc1ccccc1
Show InChI InChI=1S/C55H76N4/c1-6-25-51(26-7-1)35-18-40-56-41-23-48-57(44-19-36-52-27-8-2-9-28-52)42-16-17-43-58(45-20-37-53-29-10-3-11-30-53)49-24-50-59(46-21-38-54-31-12-4-13-32-54)47-22-39-55-33-14-5-15-34-55/h1-15,25-34,56H,16-24,35-50H2
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151n/an/an/an/an/an/an/an/a



Indiana State University

Curated by ChEMBL


Assay Description
Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi


Bioorg Med Chem Lett 11: 251-4 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178803
PNG
(3,4-dichloro-N-(3-(2-chloro-10H-phenothiazin-10-yl...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H22Cl3N2S/c1-28(2,17-9-10-18(25)19(26)15-17)13-5-12-27-20-6-3-4-7-22(20)29-23-11-8-16(24)14-21(23)27/h3-4,6-11,14-15H,5,12-13H2,1-2H3/q+1
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180n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50103373
PNG
(CHEMBL3398189)
Show SMILES NCCCN(CCCCN(CCCN)C1c2ccccc2CCc2ccccc12)C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C40H50N4/c41-25-11-29-43(39-35-17-5-1-13-31(35)21-22-32-14-2-6-18-36(32)39)27-9-10-28-44(30-12-26-42)40-37-19-7-3-15-33(37)23-24-34-16-4-8-20-38(34)40/h1-8,13-20,39-40H,9-12,21-30,41-42H2
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255n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50093209
PNG
(2-(5-Methoxy-1H-indol-3-yl)-N-[3-(4-{3-[2-(5-metho...)
Show SMILES COc1ccc2[nH]cc(CC(=O)NCCCNCCCCNCCCNC(=O)Cc3c[nH]c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C32H44N6O4/c1-41-25-7-9-29-27(19-25)23(21-37-29)17-31(39)35-15-5-13-33-11-3-4-12-34-14-6-16-36-32(40)18-24-22-38-30-10-8-26(42-2)20-28(24)30/h7-10,19-22,33-34,37-38H,3-6,11-18H2,1-2H3,(H,35,39)(H,36,40)
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280n/an/an/an/an/an/an/an/a



University of Southamton

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of trypanothione reductase enzyme


Bioorg Med Chem Lett 10: 2367-9 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50093210
PNG
(3-(1H-Indol-3-yl)-N-(3-{4-[3-(2-1H-indol-3-yl-acet...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCNCCCCNCCCNC(=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C31H42N6O2/c38-30(14-13-24-22-36-28-11-3-1-9-26(24)28)34-19-7-17-32-15-5-6-16-33-18-8-20-35-31(39)21-25-23-37-29-12-4-2-10-27(25)29/h1-4,9-12,22-23,32-33,36-37H,5-8,13-21H2,(H,34,38)(H,35,39)
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350n/an/an/an/an/an/an/an/a



University of Southamton

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of trypanothione reductase enzyme


Bioorg Med Chem Lett 10: 2367-9 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50093205
PNG
(2-(1H-Indol-3-yl)-N-(3-{4-[3-(2-1H-indol-3-yl-acet...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)NCCCNCCCCNCCCNC(=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H40N6O2/c37-29(19-23-21-35-27-11-3-1-9-25(23)27)33-17-7-15-31-13-5-6-14-32-16-8-18-34-30(38)20-24-22-36-28-12-4-2-10-26(24)28/h1-4,9-12,21-22,31-32,35-36H,5-8,13-20H2,(H,33,37)(H,34,38)
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390n/an/an/an/an/an/an/an/a



University of Southamton

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of trypanothione reductase enzyme


Bioorg Med Chem Lett 10: 2367-9 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178803
PNG
(3,4-dichloro-N-(3-(2-chloro-10H-phenothiazin-10-yl...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H22Cl3N2S/c1-28(2,17-9-10-18(25)19(26)15-17)13-5-12-27-20-6-3-4-7-22(20)29-23-11-8-16(24)14-21(23)27/h3-4,6-11,14-15H,5,12-13H2,1-2H3/q+1
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440n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091158
PNG
(CHEMBL322826 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1C
Show InChI InChI=1S/C26H30ClN2S/c1-19-10-11-21(16-20(19)2)18-29(3,4)15-7-14-28-23-8-5-6-9-25(23)30-26-13-12-22(27)17-24(26)28/h5-6,8-13,16-17H,7,14-15,18H2,1-4H3/q+1
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470n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091165
PNG
((4-Benzyloxy-benzyl)-[3-(2-chloro-phenothiazin-10-...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C31H32ClN2OS/c1-34(2,22-24-13-16-27(17-14-24)35-23-25-9-4-3-5-10-25)20-8-19-33-28-11-6-7-12-30(28)36-31-18-15-26(32)21-29(31)33/h3-7,9-18,21H,8,19-20,22-23H2,1-2H3/q+1
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470n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091148
PNG
(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
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560n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178809
PNG
(4-tert-butyl-N-(3-(2-chloro-10H-phenothiazin-10-yl...)
Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C27H32ClN2S/c1-27(2,3)20-11-14-22(15-12-20)30(4,5)18-8-17-29-23-9-6-7-10-25(23)31-26-16-13-21(28)19-24(26)29/h6-7,9-16,19H,8,17-18H2,1-5H3/q+1
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570n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50096500
PNG
(CHEMBL86281 | N,N'-Bis-(3-phenyl-propyl)-N,N'-bis-...)
Show SMILES C(CCN(CCCNCCCc1ccccc1)CCCc1ccccc1)CN(CCCNCCCc1ccccc1)CCCc1ccccc1
Show InChI InChI=1S/C46H66N4/c1-5-21-43(22-6-1)29-15-33-47-35-19-41-49(39-17-31-45-25-9-3-10-26-45)37-13-14-38-50(40-18-32-46-27-11-4-12-28-46)42-20-36-48-34-16-30-44-23-7-2-8-24-44/h1-12,21-28,47-48H,13-20,29-42H2
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614n/an/an/an/an/an/an/an/a



Indiana State University

Curated by ChEMBL


Assay Description
Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi


Bioorg Med Chem Lett 11: 251-4 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091162
PNG
((4-tert-Butyl-benzyl)-[3-(2-chloro-phenothiazin-10...)
Show SMILES CC(C)(C)c1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C28H34ClN2S/c1-28(2,3)22-13-11-21(12-14-22)20-31(4,5)18-8-17-30-24-9-6-7-10-26(24)32-27-16-15-23(29)19-25(27)30/h6-7,9-16,19H,8,17-18,20H2,1-5H3/q+1
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680n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091163
PNG
(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
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710n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50093206
PNG
(CHEMBL78036 | Spermine derivative)
Show SMILES Oc1c(cnc2cc(ccc12)C(F)(F)F)C(=O)NCCCNCCCCNCCCNC(=O)c1cnc2cc(ccc2c1O)C(F)(F)F
Show InChI InChI=1S/C32H34F6N6O4/c33-31(34,35)19-5-7-21-25(15-19)43-17-23(27(21)45)29(47)41-13-3-11-39-9-1-2-10-40-12-4-14-42-30(48)24-18-44-26-16-20(32(36,37)38)6-8-22(26)28(24)46/h5-8,15-18,39-40H,1-4,9-14H2,(H,41,47)(H,42,48)(H,43,45)(H,44,46)
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750n/an/an/an/an/an/an/an/a



University of Southamton

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of trypanothione reductase enzyme


Bioorg Med Chem Lett 10: 2367-9 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091154
PNG
(CHEMBL106901 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES COc1cc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc(OC)c1
Show InChI InChI=1S/C26H30ClN2O2S/c1-29(2,18-19-14-21(30-3)17-22(15-19)31-4)13-7-12-28-23-8-5-6-9-25(23)32-26-11-10-20(27)16-24(26)28/h5-6,8-11,14-17H,7,12-13,18H2,1-4H3/q+1
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770n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50093211
PNG
(CHEMBL308396 | Spermine derivative)
Show SMILES Oc1c(cnc2cc(ccc12)C(F)(F)F)C(=O)NCCCCNCCCNC(=O)c1cnc2cc(ccc2c1O)C(F)(F)F
Show InChI InChI=1S/C29H27F6N5O4/c30-28(31,32)16-4-6-18-22(12-16)39-14-20(24(18)41)26(43)37-10-2-1-8-36-9-3-11-38-27(44)21-15-40-23-13-17(29(33,34)35)5-7-19(23)25(21)42/h4-7,12-15,36H,1-3,8-11H2,(H,37,43)(H,38,44)(H,39,41)(H,40,42)
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850n/an/an/an/an/an/an/an/a



University of Southamton

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of trypanothione reductase enzyme


Bioorg Med Chem Lett 10: 2367-9 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50019879
PNG
(CHEMBL279905 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H22ClN2S/c1-21(2,3)12-6-11-20-15-7-4-5-8-17(15)22-18-10-9-14(19)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3/q+1
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1.10E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091157
PNG
((2-Adamantan-1-yl-2-oxo-ethyl)-[3-(2-chloro-phenot...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)CC(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C29H36ClN2OS/c1-32(2,19-28(33)29-16-20-12-21(17-29)14-22(13-20)18-29)11-5-10-31-24-6-3-4-7-26(24)34-27-9-8-23(30)15-25(27)31/h3-4,6-9,15,20-22H,5,10-14,16-19H2,1-2H3/q+1
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1.23E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50093204
PNG
(4-(1H-Indol-3-yl)-N-(3-{4-[3-(4-1H-indol-3-yl-buty...)
Show SMILES O=C(CCCc1c[nH]c2ccccc12)NCCCNCCCCNCCCNC(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C34H48N6O2/c41-33(17-7-11-27-25-39-31-15-3-1-13-29(27)31)37-23-9-21-35-19-5-6-20-36-22-10-24-38-34(42)18-8-12-28-26-40-32-16-4-2-14-30(28)32/h1-4,13-16,25-26,35-36,39-40H,5-12,17-24H2,(H,37,41)(H,38,42)
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1.26E+3n/an/an/an/an/an/an/an/a



University of Southamton

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of trypanothione reductase enzyme


Bioorg Med Chem Lett 10: 2367-9 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091153
PNG
(Benzyl-[3-(2-chloro-phenothiazin-10-yl)-propyl]-di...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccccc1
Show InChI InChI=1S/C24H26ClN2S/c1-27(2,18-19-9-4-3-5-10-19)16-8-15-26-21-11-6-7-12-23(21)28-24-14-13-20(25)17-22(24)26/h3-7,9-14,17H,8,15-16,18H2,1-2H3/q+1
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1.30E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50096491
PNG
(CHEMBL85189 | N-(3-Amino-propyl)-N,N'-bis-(3-pheny...)
Show SMILES NCCCN(CCCCN(CCCNCCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1
Show InChI InChI=1S/C37H56N4/c38-26-15-33-40(31-13-24-36-19-6-2-7-20-36)29-10-11-30-41(32-14-25-37-21-8-3-9-22-37)34-16-28-39-27-12-23-35-17-4-1-5-18-35/h1-9,17-22,39H,10-16,23-34,38H2
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1.38E+3n/an/an/an/an/an/an/an/a



Indiana State University

Curated by ChEMBL


Assay Description
Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi


Bioorg Med Chem Lett 11: 251-4 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50093207
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[(E)-3-(3,...)
Show SMILES Oc1ccc(\C=C\C(=O)NCCCNCCCCNCCCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H38N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-12,19-20,29-30,33-36H,1-4,13-18H2,(H,31,37)(H,32,38)/b11-7+,12-8+
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1.39E+3n/an/an/an/an/an/an/an/a



University of Southamton

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of trypanothione reductase enzyme


Bioorg Med Chem Lett 10: 2367-9 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091159
PNG
(CHEMBL326458 | [2-(4-Chloro-3-methyl-phenyl)-2-oxo...)
Show SMILES Cc1cc(ccc1Cl)C(=O)C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C26H27Cl2N2OS/c1-18-15-19(9-11-21(18)28)24(31)17-30(2,3)14-6-13-29-22-7-4-5-8-25(22)32-26-12-10-20(27)16-23(26)29/h4-5,7-12,15-16H,6,13-14,17H2,1-3H3/q+1
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1.43E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091156
PNG
((4-Bromo-benzyl)-[3-(2-chloro-phenothiazin-10-yl)-...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Br)cc1
Show InChI InChI=1S/C24H25BrClN2S/c1-28(2,17-18-8-10-19(25)11-9-18)15-5-14-27-21-6-3-4-7-23(21)29-24-13-12-20(26)16-22(24)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1
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1.50E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091155
PNG
(CHEMBL323271 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H26ClN2S/c1-30(2,23-14-12-20-8-3-4-9-21(20)18-23)17-7-16-29-24-10-5-6-11-26(24)31-27-15-13-22(28)19-25(27)29/h3-6,8-15,18-19H,7,16-17H2,1-2H3/q+1
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1.55E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091164
PNG
(CHEMBL106236 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C24H21ClF5N2S/c1-32(2,13-15-20(26)22(28)24(30)23(29)21(15)27)11-5-10-31-16-6-3-4-7-18(16)33-19-9-8-14(25)12-17(19)31/h3-4,6-9,12H,5,10-11,13H2,1-2H3/q+1
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1.67E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178807
PNG
(3,4-dichloro-N-(3-(5-chloro-2-(phenylthio)phenylam...)
Show SMILES C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H24Cl3N2S/c1-28(2,18-10-11-20(25)21(26)16-18)14-6-13-27-22-15-17(24)9-12-23(22)29-19-7-4-3-5-8-19/h3-5,7-12,15-16,27H,6,13-14H2,1-2H3/q+1
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1.69E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178807
PNG
(3,4-dichloro-N-(3-(5-chloro-2-(phenylthio)phenylam...)
Show SMILES C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H24Cl3N2S/c1-28(2,18-10-11-20(25)21(26)16-18)14-6-13-27-22-15-17(24)9-12-23(22)29-19-7-4-3-5-8-19/h3-5,7-12,15-16,27H,6,13-14H2,1-2H3/q+1
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1.70E+3n/an/an/an/an/an/an/an/a



Pontificia Universidad Catolica del Peru

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant trypanothione reductase


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091149
PNG
((4-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H25Cl2N2S/c1-28(2,17-18-8-10-19(25)11-9-18)15-5-14-27-21-6-3-4-7-23(21)29-24-13-12-20(26)16-22(24)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1
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1.70E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091150
PNG
(CHEMBL323540 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C25H28ClN2S/c1-19-9-11-20(12-10-19)18-28(2,3)16-6-15-27-22-7-4-5-8-24(22)29-25-14-13-21(26)17-23(25)27/h4-5,7-14,17H,6,15-16,18H2,1-3H3/q+1
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1.80E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50170726
PNG
(4,4'-Bis(4-benzyloxy-3-methoxybenzimidoylamino)dic...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(N)=NC1CCC(CC2CCC(CC2)N=C(N)c2ccc(OCc3ccccc3)c(OC)c2)CC1
Show InChI InChI=1S/C43H52N4O4/c1-48-40-26-34(17-23-38(40)50-28-32-9-5-3-6-10-32)42(44)46-36-19-13-30(14-20-36)25-31-15-21-37(22-16-31)47-43(45)35-18-24-39(41(27-35)49-2)51-29-33-11-7-4-8-12-33/h3-12,17-18,23-24,26-27,30-31,36-37H,13-16,19-22,25,28-29H2,1-2H3,(H2,44,46)(H2,45,47)
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2.00E+3n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-Bologna University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant trypanothione reductase by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50240625
PNG
(4-(2,3,4,9-Tetrahydro-1H-beta-carbolin-1-yl)-benzo...)
Show SMILES N#Cc1ccc(cc1)C1NCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C18H15N3/c19-11-12-5-7-13(8-6-12)17-18-15(9-10-20-17)14-3-1-2-4-16(14)21-18/h1-8,17,20-21H,9-10H2
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2.00E+3n/an/an/an/an/an/an/an/a



Pontificia Universidad Catolica del Peru

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant trypanothione reductase


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50170726
PNG
(4,4'-Bis(4-benzyloxy-3-methoxybenzimidoylamino)dic...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(N)=NC1CCC(CC2CCC(CC2)N=C(N)c2ccc(OCc3ccccc3)c(OC)c2)CC1
Show InChI InChI=1S/C43H52N4O4/c1-48-40-26-34(17-23-38(40)50-28-32-9-5-3-6-10-32)42(44)46-36-19-13-30(14-20-36)25-31-15-21-37(22-16-31)47-43(45)35-18-24-39(41(27-35)49-2)51-29-33-11-7-4-8-12-33/h3-12,17-18,23-24,26-27,30-31,36-37H,13-16,19-22,25,28-29H2,1-2H3,(H2,44,46)(H2,45,47)
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (4...


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50170727
PNG
(4,4'-Bis(4-benzyloxy-3-methoxybenzimidoylamino)-di...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(N)=Nc1ccc(Oc2ccc(cc2)N=C(N)c2ccc(OCc3ccccc3)c(OC)c2)cc1
Show InChI InChI=1S/C42H38N4O5/c1-47-39-25-31(13-23-37(39)49-27-29-9-5-3-6-10-29)41(43)45-33-15-19-35(20-16-33)51-36-21-17-34(18-22-36)46-42(44)32-14-24-38(40(26-32)48-2)50-28-30-11-7-4-8-12-30/h3-26H,27-28H2,1-2H3,(H2,43,45)(H2,44,46)
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (4...


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50170723
PNG
(1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide...)
Show SMILES NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (4...


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More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091152
PNG
(CHEMBL106108 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)CC1CCCCC1
Show InChI InChI=1S/C24H32ClN2S/c1-27(2,18-19-9-4-3-5-10-19)16-8-15-26-21-11-6-7-12-23(21)28-24-14-13-20(25)17-22(24)26/h6-7,11-14,17,19H,3-5,8-10,15-16,18H2,1-2H3/q+1
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2.30E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50091151
PNG
((3-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1cccc(Cl)c1
Show InChI InChI=1S/C24H25Cl2N2S/c1-28(2,17-18-7-5-8-19(25)15-18)14-6-13-27-21-9-3-4-10-23(21)29-24-12-11-20(26)16-22(24)27/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3/q+1
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2.40E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178802
PNG
(4-tert-butyl-N-(3-(5-chloro-2-(phenylthio)phenylam...)
Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCNc1cc(Cl)ccc1Sc1ccccc1
Show InChI InChI=1S/C27H34ClN2S/c1-27(2,3)21-12-15-23(16-13-21)30(4,5)19-9-18-29-25-20-22(28)14-17-26(25)31-24-10-7-6-8-11-24/h6-8,10-17,20,29H,9,18-19H2,1-5H3/q+1
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2.67E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50369578
PNG
(CHEMBL239370)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H25ClN3O2S/c1-28(2,17-18-8-11-20(12-9-18)27(29)30)15-5-14-26-21-6-3-4-7-23(21)31-24-13-10-19(25)16-22(24)26/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1
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2.98E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione reductase


J Med Chem 43: 3148-56 (2000)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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3.20E+3n/an/an/an/an/an/an/an/a



Pontificia Universidad Catolica del Peru

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant trypanothione reductase


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50096496
PNG
(CHEMBL62048 | N,N'-Bis-(3-amino-propyl)-N,N'-bis-(...)
Show SMILES NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc1ccccc1
Show InChI InChI=1S/C28H46N4/c29-19-11-25-31(23-9-17-27-13-3-1-4-14-27)21-7-8-22-32(26-12-20-30)24-10-18-28-15-5-2-6-16-28/h1-6,13-16H,7-12,17-26,29-30H2
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3.48E+3n/an/an/an/an/an/an/an/a



Indiana State University

Curated by ChEMBL


Assay Description
Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi


Bioorg Med Chem Lett 11: 251-4 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50096493
PNG
(CHEMBL82641 | N,N'-Bis-(3-phenyl-propyl)-N-[3-(3-p...)
Show SMILES C(CCN(CCCNCCCc1ccccc1)CCCc1ccccc1)CNCCCc1ccccc1
Show InChI InChI=1S/C34H49N3/c1-4-16-32(17-5-1)22-12-26-35-25-10-11-29-37(30-14-24-34-20-8-3-9-21-34)31-15-28-36-27-13-23-33-18-6-2-7-19-33/h1-9,16-21,35-36H,10-15,22-31H2
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3.50E+3n/an/an/an/an/an/an/an/a



Indiana State University

Curated by ChEMBL


Assay Description
Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi


Bioorg Med Chem Lett 11: 251-4 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50096496
PNG
(CHEMBL62048 | N,N'-Bis-(3-amino-propyl)-N,N'-bis-(...)
Show SMILES NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc1ccccc1
Show InChI InChI=1S/C28H46N4/c29-19-11-25-31(23-9-17-27-13-3-1-4-14-27)21-7-8-22-32(26-12-20-30)24-10-18-28-15-5-2-6-16-28/h1-6,13-16H,7-12,17-26,29-30H2
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3.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50096492
PNG
(CHEMBL84221 | N-{3-[Bis-(3-phenyl-propyl)-amino]-p...)
Show SMILES C(CCNCCCN(CCCc1ccccc1)CCCc1ccccc1)CNCCCNCCCc1ccccc1
Show InChI InChI=1S/C37H56N4/c1-4-17-35(18-5-1)23-12-28-40-30-15-29-38-26-10-11-27-39-31-16-34-41(32-13-24-36-19-6-2-7-20-36)33-14-25-37-21-8-3-9-22-37/h1-9,17-22,38-40H,10-16,23-34H2
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3.62E+3n/an/an/an/an/an/an/an/a



Indiana State University

Curated by ChEMBL


Assay Description
Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi


Bioorg Med Chem Lett 11: 251-4 (2001)

More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50103372
PNG
(CHEMBL378650)
Show SMILES NCCCCN(CCCN)C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C22H31N3/c23-14-5-6-16-25(17-7-15-24)22-20-10-3-1-8-18(20)12-13-19-9-2-4-11-21(19)22/h1-4,8-11,22H,5-7,12-17,23-24H2
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4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically


Citation and Details
More data for this
Ligand-Target Pair
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