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Found 123 hits Enz. Inhib. hit(s) with Target = 'Trypanothione Reductase (TryR)'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28341
PNG
((9aR)-2-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxo...)
Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CC[NH+]3CC[NH+]4CCCC[C@@H]4C3)c2c1
Show InChI InChI=1S/C23H26ClN3OS/c24-17-8-9-22-20(15-17)27(19-6-1-2-7-21(19)29-22)23(28)10-12-25-13-14-26-11-4-3-5-18(26)16-25/h1-2,6-9,15,18H,3-5,10-14,16H2/p+2/t18-/m1/s1
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n/an/a 3.19E+4n/an/an/an/a7.522



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28343
PNG
(4-phenyl-1-({[2-(phenylsulfanyl)phenyl]carbamoyl}m...)
Show SMILES O=C(C[NH+]1CCN(CC1)c1ccccc1)Nc1ccccc1Sc1ccccc1
Show InChI InChI=1S/C24H25N3OS/c28-24(19-26-15-17-27(18-16-26)20-9-3-1-4-10-20)25-22-13-7-8-14-23(22)29-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,25,28)/p+1
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n/an/a>1.00E+5n/an/an/an/a7.522



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28352
PNG
((1S)-1-(naphthalen-2-ylcarbamoyl)pentane-1,5-bis(a...)
Show SMILES [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C16H21N3O/c17-10-4-3-7-15(18)16(20)19-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,15H,3-4,7,10,17-18H2,(H,19,20)/p+2/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a7.522



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28351
PNG
(2-{2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl}-N-[2...)
Show SMILES O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1Sc1ccccc1
Show InChI InChI=1S/C23H25N3O3S/c27-20(16-26-21(28)23(25-22(26)29)14-8-1-2-9-15-23)24-18-12-6-7-13-19(18)30-17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2,(H,24,27)(H,25,29)
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n/an/a>1.00E+5n/an/an/an/a7.522



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28350
PNG
(2-[(3aR,7aS)-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-...)
Show SMILES Clc1ccc(Sc2ccccc2NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1
Show InChI InChI=1S/C22H19ClN2O3S/c23-14-9-11-15(12-10-14)29-19-8-4-3-7-18(19)24-20(26)13-25-21(27)16-5-1-2-6-17(16)22(25)28/h1-4,7-12,16-17H,5-6,13H2,(H,24,26)/t16-,17+
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n/an/a>1.00E+5n/an/an/an/a7.522



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28349
PNG
(N-methyl-N-({[2-(phenylsulfanyl)phenyl]carbamoyl}m...)
Show SMILES C[NH+](CC(=O)Nc1ccccc1Sc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C21H26N2OS/c1-23(17-10-4-2-5-11-17)16-21(24)22-19-14-8-9-15-20(19)25-18-12-6-3-7-13-18/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,22,24)/p+1
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n/an/a 4.69E+4n/an/an/an/a7.522



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28348
PNG
((5R,7S)-3-[(3-bromophenyl)methyl]-5,7-dimethyl-1,3...)
Show SMILES C[C@@]12C[NH+]3C[C@@](C)(C1)C[N+](Cc1cccc(Br)c1)(C3)C2
Show InChI InChI=1S/C17H24BrN2/c1-16-8-17(2)10-19(9-16)13-20(11-16,12-17)7-14-4-3-5-15(18)6-14/h3-6H,7-13H2,1-2H3/q+1/p+1/t16-,17+,20?
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n/an/a>1.00E+5n/an/an/an/a7.522



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28347
PNG
(3-(10H-phenothiazin-10-ylmethyl)-1-azabicyclo[2.2....)
Show SMILES C(C1C[NH+]2CCC1CC2)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/p+1
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n/an/a 5.43E+4n/an/an/an/a7.522



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28344
PNG
(4-carbamoyl-1-({[2-(phenylsulfanyl)phenyl]carbamoy...)
Show SMILES NC(=O)C1(CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1)[NH+]1CCCCC1
Show InChI InChI=1S/C25H32N4O2S/c26-24(31)25(29-15-7-2-8-16-29)13-17-28(18-14-25)19-23(30)27-21-11-5-6-12-22(21)32-20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-19H2,(H2,26,31)(H,27,30)/p+2
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n/an/a>1.00E+5n/an/an/an/a7.522



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28345
PNG
(1-[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]...)
Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)C[NH+]3CCCCCC3)c2c1
Show InChI InChI=1S/C20H21ClN2OS/c21-15-9-10-19-17(13-15)23(16-7-3-4-8-18(16)25-19)20(24)14-22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12,14H2/p+1
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n/an/a>1.00E+5n/an/an/an/a7.522



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28346
PNG
(1-[(9S)-6-chloro-2-thiatricyclo[9.4.0.0^{3,8}]pent...)
Show SMILES CC[NH+]1CC[NH+](CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C20H23ClN2S/c1-2-22-9-11-23(12-10-22)18-13-15-5-3-4-6-19(15)24-20-8-7-16(21)14-17(18)20/h3-8,14,18H,2,9-13H2,1H3/p+2/t18-/m0/s1
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n/an/a 3.60E+4n/an/an/an/a7.522



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354279
PNG
(CHEMBL1836603)
Show SMILES CN(C)CCCN1C(c2ccc(C)cc2)c2cc(Cl)ccc2N=C1C
Show InChI InChI=1S/C21H26ClN3/c1-15-6-8-17(9-7-15)21-19-14-18(22)10-11-20(19)23-16(2)25(21)13-5-12-24(3)4/h6-11,14,21H,5,12-13H2,1-4H3
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190n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354268
PNG
(CHEMBL1836570)
Show SMILES CN(C)CC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1
Show InChI InChI=1S/C25H32ClN5O/c1-19-27-23-10-9-21(26)17-22(23)25(20-7-5-4-6-8-20)31(19)16-13-29-11-14-30(15-12-29)24(32)18-28(2)3/h4-10,17,25H,11-16,18H2,1-3H3
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270n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354299
PNG
(CHEMBL1836378)
Show SMILES CN1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1
Show InChI InChI=1S/C22H27ClN4/c1-17-24-21-9-8-19(23)16-20(21)22(18-6-4-3-5-7-18)27(17)15-14-26-12-10-25(2)11-13-26/h3-9,16,22H,10-15H2,1-2H3
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320n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354257
PNG
(CHEMBL1836559)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCNC(=O)c1ccco1)c1ccccc1
Show InChI InChI=1S/C22H20ClN3O2/c1-15-25-19-10-9-17(23)14-18(19)21(16-6-3-2-4-7-16)26(15)12-11-24-22(27)20-8-5-13-28-20/h2-10,13-14,21H,11-12H2,1H3,(H,24,27)
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440n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354279
PNG
(CHEMBL1836603)
Show SMILES CN(C)CCCN1C(c2ccc(C)cc2)c2cc(Cl)ccc2N=C1C
Show InChI InChI=1S/C21H26ClN3/c1-15-6-8-17(9-7-15)21-19-14-18(22)10-11-20(19)23-16(2)25(21)13-5-12-24(3)4/h6-11,14,21H,5,12-13H2,1-4H3
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1.46E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Mixed type inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354268
PNG
(CHEMBL1836570)
Show SMILES CN(C)CC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1
Show InChI InChI=1S/C25H32ClN5O/c1-19-27-23-10-9-21(26)17-22(23)25(20-7-5-4-6-8-20)31(19)16-13-29-11-14-30(15-12-29)24(32)18-28(2)3/h4-10,17,25H,11-16,18H2,1-3H3
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1.78E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Mixed type inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354257
PNG
(CHEMBL1836559)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCNC(=O)c1ccco1)c1ccccc1
Show InChI InChI=1S/C22H20ClN3O2/c1-15-25-19-10-9-17(23)14-18(19)21(16-6-3-2-4-7-16)26(15)12-11-24-22(27)20-8-5-13-28-20/h2-10,13-14,21H,11-12H2,1H3,(H,24,27)
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2.27E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Mixed type inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28353
PNG
(1-(4-methylphenyl)-5-oxo-N-[2-(phenylsulfanyl)phen...)
Show SMILES Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ccccc1Sc1ccccc1
Show InChI InChI=1S/C24H22N2O2S/c1-17-11-13-19(14-12-17)26-16-18(15-23(26)27)24(28)25-21-9-5-6-10-22(21)29-20-7-3-2-4-8-20/h2-14,18H,15-16H2,1H3,(H,25,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28354
PNG
(2-{6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-y...)
Show SMILES CC1CCCCC11NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O
Show InChI InChI=1S/C23H25N3O3S/c1-16-9-7-8-14-23(16)21(28)26(22(29)25-23)15-20(27)24-18-12-5-6-13-19(18)30-17-10-3-2-4-11-17/h2-6,10-13,16H,7-9,14-15H2,1H3,(H,24,27)(H,25,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28355
PNG
((2S)-2-benzenesulfonamido-N-[2-(phenylsulfanyl)phe...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1
Show InChI InChI=1S/C21H20N2O3S2/c1-16(23-28(25,26)18-12-6-3-7-13-18)21(24)22-19-14-8-9-15-20(19)27-17-10-4-2-5-11-17/h2-16,23H,1H3,(H,22,24)/t16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28356
PNG
((3R)-1-methyl-3-[(10R)-9-oxa-2-thiatricyclo[9.4.0....)
Show SMILES C[NH+]1CCC[C@H](C[C@H]2Oc3ccccc3Sc3ccccc23)C1
Show InChI InChI=1S/C20H23NOS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)23-20-11-5-3-9-17(20)22-18/h2-5,8-11,15,18H,6-7,12-14H2,1H3/p+1/t15-,18-/m1/s1
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n/an/a 1.46E+4n/an/an/an/an/an/a



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28357
PNG
(ZINC00347760, 26 | {3-[(10S)-2,9-dithiatricyclo[9....)
Show SMILES C[NH+](C)CCC[C@@H]1Sc2ccccc2Sc2ccccc12
Show InChI InChI=1S/C18H21NS2/c1-19(2)13-7-12-16-14-8-3-4-9-15(14)20-17-10-5-6-11-18(17)21-16/h3-6,8-11,16H,7,12-13H2,1-2H3/p+1/t16-/m0/s1
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n/an/a 3.73E+4n/an/an/an/an/an/a



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28358
PNG
((2R,7S)-18-chloro-3,3-dimethyl-14-thia-3-azatetrac...)
Show SMILES C[N+]1(C)CCC[C@@H]2[C@@H]1c1cc(Cl)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H21ClNS/c1-21(2)11-5-7-15-14-6-3-4-8-17(14)22-18-10-9-13(20)12-16(18)19(15)21/h3-4,6,8-10,12,15,19H,5,7,11H2,1-2H3/q+1/t15-,19+/m0/s1
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n/an/a 5.87E+4n/an/an/an/an/an/a



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28359
PNG
(1-benzyl-4-[(E)-[(1-cyclohexyl-2,4,6-trioxo-1,3-di...)
Show SMILES C[N+]1(Cc2ccccc2)CCC(CC1)NC=C1C(=O)NC(=O)N(C2CCCCC2)C1=O
Show InChI InChI=1S/C24H32N4O3/c1-28(17-18-8-4-2-5-9-18)14-12-19(13-15-28)25-16-21-22(29)26-24(31)27(23(21)30)20-10-6-3-7-11-20/h2,4-5,8-9,16,19-20H,3,6-7,10-15,17H2,1H3,(H-,25,26,29,30,31)/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM28360
PNG
(4-[(4S)-4-[(3-chlorophenyl)carbamoyl]-6-oxo-1,4,5,...)
Show SMILES C[NH+]1CCN(CC1)C1=N[C@@H](CC(=O)N1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H20ClN5O2/c1-21-5-7-22(8-6-21)16-19-13(10-14(23)20-16)15(24)18-12-4-2-3-11(17)9-12/h2-4,9,13H,5-8,10H2,1H3,(H,18,24)(H,19,20,23)/p+1/t13-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta



Assay Description
Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA...


J Med Chem 52: 1670-80 (2009)


Article DOI: 10.1021/jm801306g
BindingDB Entry DOI: 10.7270/Q2K35S0B
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Trypanosoma brucei brucei strain S427 trypanothione reductase assessed as reduction of trypanothione disulphide by 412 nm a...


Citation and Details

Article DOI: 10.1016/j.bmc.2015.01.018
BindingDB Entry DOI: 10.7270/Q27P9166
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50142683
PNG
(CHEMBL1801896)
Show SMILES Clc1ccc2Oc3ccccc3Nc2c1
Show InChI InChI=1S/C12H8ClNO/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H
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n/an/a 6.92E+4n/an/an/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...


Eur J Med Chem 108: 436-43 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.023
BindingDB Entry DOI: 10.7270/Q2GH9KTB
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50142684
PNG
(CHEMBL1651446)
Show SMILES ClCC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C14H10ClNOS/c15-9-14(17)16-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)16/h1-8H,9H2
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n/an/a 9.30E+3n/an/an/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...


Eur J Med Chem 108: 436-43 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.023
BindingDB Entry DOI: 10.7270/Q2GH9KTB
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50399189
PNG
(CHEMBL2180182)
Show SMILES CC(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C14H11NO2/c1-10(16)15-11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...


Eur J Med Chem 108: 436-43 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.023
BindingDB Entry DOI: 10.7270/Q2GH9KTB
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50142685
PNG
(CHEMBL3758242)
Show SMILES ClCC(=O)N1c2ccccc2Oc2ccc(Cl)cc12
Show InChI InChI=1S/C14H9Cl2NO2/c15-8-14(18)17-10-3-1-2-4-12(10)19-13-6-5-9(16)7-11(13)17/h1-7H,8H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...


Eur J Med Chem 108: 436-43 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.023
BindingDB Entry DOI: 10.7270/Q2GH9KTB
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50142687
PNG
(CHEMBL3758404)
Show SMILES ClCC(=O)N1c2ccccc2COc2ccc(Cl)cc12
Show InChI InChI=1S/C15H11Cl2NO2/c16-8-15(19)18-12-4-2-1-3-10(12)9-20-14-6-5-11(17)7-13(14)18/h1-7H,8-9H2
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, t...


Eur J Med Chem 108: 436-43 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.023
BindingDB Entry DOI: 10.7270/Q2GH9KTB
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354257
PNG
(CHEMBL1836559)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCNC(=O)c1ccco1)c1ccccc1
Show InChI InChI=1S/C22H20ClN3O2/c1-15-25-19-10-9-17(23)14-18(19)21(16-6-3-2-4-7-16)26(15)12-11-24-22(27)20-8-5-13-28-20/h2-10,13-14,21H,11-12H2,1H3,(H,24,27)
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n/an/a 860n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354258
PNG
(CHEMBL1836560)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCNC(=O)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H24ClN3O/c1-18-28-23-13-12-21(26)17-22(23)25(20-10-6-3-7-11-20)29(18)15-14-27-24(30)16-19-8-4-2-5-9-19/h2-13,17,25H,14-16H2,1H3,(H,27,30)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354259
PNG
(CHEMBL1836561)
Show SMILES COCC(=O)NCCN1C(c2ccccc2)c2cc(Cl)ccc2N=C1C
Show InChI InChI=1S/C20H22ClN3O2/c1-14-23-18-9-8-16(21)12-17(18)20(15-6-4-3-5-7-15)24(14)11-10-22-19(25)13-26-2/h3-9,12,20H,10-11,13H2,1-2H3,(H,22,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354260
PNG
(CHEMBL1836562)
Show SMILES CN(C)CC(=O)NCCN1C(c2ccccc2)c2cc(Cl)ccc2N=C1C
Show InChI InChI=1S/C21H25ClN4O/c1-15-24-19-10-9-17(22)13-18(19)21(16-7-5-4-6-8-16)26(15)12-11-23-20(27)14-25(2)3/h4-10,13,21H,11-12,14H2,1-3H3,(H,23,27)
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n/an/a 810n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354261
PNG
(CHEMBL1836563)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C26H33ClN4O2/c1-19-28-23-11-10-21(27)18-22(23)24(20-8-6-5-7-9-20)31(19)17-14-29-12-15-30(16-13-29)25(32)33-26(2,3)4/h5-11,18,24H,12-17H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354262
PNG
(CHEMBL1836564)
Show SMILES CC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1
Show InChI InChI=1S/C23H27ClN4O/c1-17-25-22-9-8-20(24)16-21(22)23(19-6-4-3-5-7-19)28(17)15-12-26-10-13-27(14-11-26)18(2)29/h3-9,16,23H,10-15H2,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354263
PNG
(CHEMBL1836565)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCN(CC1)C(=O)C1CC1)c1ccccc1
Show InChI InChI=1S/C25H29ClN4O/c1-18-27-23-10-9-21(26)17-22(23)24(19-5-3-2-4-6-19)30(18)16-13-28-11-14-29(15-12-28)25(31)20-7-8-20/h2-6,9-10,17,20,24H,7-8,11-16H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354264
PNG
(CHEMBL1836566)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCN(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H29ClN4O/c1-21-30-26-13-12-24(29)20-25(26)27(22-8-4-2-5-9-22)33(21)19-16-31-14-17-32(18-15-31)28(34)23-10-6-3-7-11-23/h2-13,20,27H,14-19H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354265
PNG
(CHEMBL1836567)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCN(CC1)C(=O)c1ccco1)c1ccccc1
Show InChI InChI=1S/C26H27ClN4O2/c1-19-28-23-10-9-21(27)18-22(23)25(20-6-3-2-4-7-20)31(19)16-13-29-11-14-30(15-12-29)26(32)24-8-5-17-33-24/h2-10,17-18,25H,11-16H2,1H3
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n/an/a 420n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354266
PNG
(CHEMBL1836568)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCN(CC1)C(=O)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31ClN4O/c1-22-31-27-13-12-25(30)21-26(27)29(24-10-6-3-7-11-24)34(22)19-16-32-14-17-33(18-15-32)28(35)20-23-8-4-2-5-9-23/h2-13,21,29H,14-20H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354267
PNG
(CHEMBL1836569)
Show SMILES COCC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1
Show InChI InChI=1S/C24H29ClN4O2/c1-18-26-22-9-8-20(25)16-21(22)24(19-6-4-3-5-7-19)29(18)15-12-27-10-13-28(14-11-27)23(30)17-31-2/h3-9,16,24H,10-15,17H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354268
PNG
(CHEMBL1836570)
Show SMILES CN(C)CC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1
Show InChI InChI=1S/C25H32ClN5O/c1-19-27-23-10-9-21(26)17-22(23)25(20-7-5-4-6-8-20)31(19)16-13-29-11-14-30(15-12-29)24(32)18-28(2)3/h4-10,17,25H,11-16,18H2,1-3H3
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n/an/a 370n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354269
PNG
(CHEMBL1836571)
Show SMILES CC1=Nc2ccccc2C(N1CCN1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H27N3/c1-18-23-21-13-7-6-12-20(21)22(19-10-4-2-5-11-19)25(18)17-16-24-14-8-3-9-15-24/h2,4-7,10-13,22H,3,8-9,14-17H2,1H3
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n/an/a 780n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354270
PNG
(CHEMBL1836572)
Show SMILES CC1=Nc2ccc(Br)cc2C(N1CCN1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H26BrN3/c1-17-24-21-11-10-19(23)16-20(21)22(18-8-4-2-5-9-18)26(17)15-14-25-12-6-3-7-13-25/h2,4-5,8-11,16,22H,3,6-7,12-15H2,1H3
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n/an/a 790n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354271
PNG
(CHEMBL1836575)
Show SMILES CC1=Nc2ccc(cc2C(N1CCN1CCCCC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H31N3/c1-22-29-27-16-15-25(23-11-5-2-6-12-23)21-26(27)28(24-13-7-3-8-14-24)31(22)20-19-30-17-9-4-10-18-30/h2-3,5-8,11-16,21,28H,4,9-10,17-20H2,1H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354272
PNG
(CHEMBL1836576)
Show SMILES CC1=Nc2ccc(cc2C(N1CCN1CCCCC1)c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C27H30N4/c1-21-29-26-11-10-24(22-12-14-28-15-13-22)20-25(26)27(23-8-4-2-5-9-23)31(21)19-18-30-16-6-3-7-17-30/h2,4-5,8-15,20,27H,3,6-7,16-19H2,1H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354273
PNG
(CHEMBL1836573)
Show SMILES CC1=Nc2ccc(cc2C(N1CCN1CCCCC1)c1ccccc1)-c1ccco1
Show InChI InChI=1S/C26H29N3O/c1-20-27-24-13-12-22(25-11-8-18-30-25)19-23(24)26(21-9-4-2-5-10-21)29(20)17-16-28-14-6-3-7-15-28/h2,4-5,8-13,18-19,26H,3,6-7,14-17H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354274
PNG
(CHEMBL1836577)
Show SMILES CC1=Nc2ccc(cc2C(N1CCN1CCCCC1)c1ccccc1)-c1ccsc1
Show InChI InChI=1S/C26H29N3S/c1-20-27-25-11-10-22(23-12-17-30-19-23)18-24(25)26(21-8-4-2-5-9-21)29(20)16-15-28-13-6-3-7-14-28/h2,4-5,8-12,17-19,26H,3,6-7,13-16H2,1H3
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n/an/a 790n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair
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