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Found 123 hits Enz. Inhib. hit(s) with Target = 'Trypanothione Reductase (TryR)' AND taxid = 5702   
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 (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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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n/an/a 230n/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50201774
PNG
(3-(dimethylamino)-1-(3-nitrophenyl)propan-1-one hy...)
Show SMILES CN(C)CCC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H14N2O3/c1-12(2)7-6-11(14)9-4-3-5-10(8-9)13(15)16/h3-5,8H,6-7H2,1-2H3
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n/an/a 340n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TR by DTNB-coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354332
PNG
(CHEMBL1836574)
Show SMILES CC1=Nc2ccc(I)cc2C(N1CCN1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H26IN3/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 350n/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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354290
PNG
(CHEMBL1836615)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1ccc(C)cc1
Show InChI InChI=1S/C23H28ClN3/c1-17-6-8-19(9-7-17)23-21-16-20(24)10-11-22(21)25-18(2)27(23)15-14-26-12-4-3-5-13-26/h6-11,16,23H,3-5,12-15H2,1-2H3
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n/an/a 590n/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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354287
PNG
(CHEMBL1836611)
Show SMILES CC1=Nc2ccc(Cl)cc2C(O)(N1CCN1CCCCC1)c1ccc(C)cc1
Show InChI InChI=1S/C23H28ClN3O/c1-17-6-8-19(9-7-17)23(28)21-16-20(24)10-11-22(21)25-18(2)27(23)15-14-26-12-4-3-5-13-26/h6-11,16,28H,3-5,12-15H2,1-2H3
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n/an/a 710n/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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354333
PNG
(CHEMBL1836612)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25Cl2N3/c1-16-25-21-10-9-19(24)15-20(21)22(17-5-7-18(23)8-6-17)27(16)14-13-26-11-3-2-4-12-26/h5-10,15,22H,2-4,11-14H2,1H3
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n/an/a 730n/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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354317
PNG
(CHEMBL1836371)
Show SMILES CN(C)c1cccc(CN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)c1
Show InChI InChI=1S/C24H24ClN3/c1-17-26-23-13-12-20(25)15-22(23)24(19-9-5-4-6-10-19)28(17)16-18-8-7-11-21(14-18)27(2)3/h4-15,24H,16H2,1-3H3
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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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354281
PNG
(CHEMBL1836606)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1cccc(F)c1
Show InChI InChI=1S/C22H25ClFN3/c1-16-25-21-9-8-18(23)15-20(21)22(17-6-5-7-19(24)14-17)27(16)13-12-26-10-3-2-4-11-26/h5-9,14-15,22H,2-4,10-13H2,1H3
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n/an/a 900n/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


Citation and Details
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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n/an/a 930n/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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354311
PNG
(CHEMBL1836365)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2/c1-16-24-21-13-12-19(23)14-20(21)22(18-10-6-3-7-11-18)25(16)15-17-8-4-2-5-9-17/h2-14,22H,15H2,1H3
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n/an/a 930n/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354314
PNG
(CHEMBL1836368)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1Cc1ccccc1F)c1ccccc1
Show InChI InChI=1S/C22H18ClFN2/c1-15-25-21-12-11-18(23)13-19(21)22(16-7-3-2-4-8-16)26(15)14-17-9-5-6-10-20(17)24/h2-13,22H,14H2,1H3
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n/an/a 940n/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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354325
PNG
(CHEMBL1836380)
Show SMILES CN(C)CCCN1C(c2ccccc2)c2cc(Cl)ccc2N=C1C
Show InChI InChI=1S/C20H24ClN3/c1-15-22-19-11-10-17(21)14-18(19)20(16-8-5-4-6-9-16)24(15)13-7-12-23(2)3/h4-6,8-11,14,20H,7,12-13H2,1-3H3
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n/an/a 1.00E+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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354313
PNG
(CHEMBL1836367)
Show SMILES COc1ccccc1CN1C(c2ccccc2)c2cc(Cl)ccc2N=C1C
Show InChI InChI=1S/C23H21ClN2O/c1-16-25-21-13-12-19(24)14-20(21)23(17-8-4-3-5-9-17)26(16)15-18-10-6-7-11-22(18)27-2/h3-14,23H,15H2,1-2H3
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n/an/a 1.10E+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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354321
PNG
(CHEMBL1836375)
Show SMILES CCN1C(c2ccccc2)c2cc(Cl)ccc2N=C1C
Show InChI InChI=1S/C17H17ClN2/c1-3-20-12(2)19-16-10-9-14(18)11-15(16)17(20)13-7-5-4-6-8-13/h4-11,17H,3H2,1-2H3
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n/an/a 1.20E+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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354291
PNG
(CHEMBL1836616)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H25Cl2N3/c1-16-25-21-9-8-19(24)15-20(21)22(17-6-5-7-18(23)14-17)27(16)13-12-26-10-3-2-4-11-26/h5-9,14-15,22H,2-4,10-13H2,1H3
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n/an/a 1.20E+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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354318
PNG
(CHEMBL1836372)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1Cc1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C23H21ClN2/c1-16-8-10-18(11-9-16)15-26-17(2)25-22-13-12-20(24)14-21(22)23(26)19-6-4-3-5-7-19/h3-14,23H,15H2,1-2H3
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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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354283
PNG
(CHEMBL1836604)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl3N3/c1-15-26-21-8-6-17(23)14-18(21)22(16-5-7-19(24)20(25)13-16)28(15)12-11-27-9-3-2-4-10-27/h5-8,13-14,22H,2-4,9-12H2,1H3
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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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50201776
PNG
(3-(2,3-dimethylphenylamino)-1-(3-nitrophenyl)propa...)
Show SMILES Cc1cccc(NCCC(=O)c2cccc(c2)[N+]([O-])=O)c1C
Show InChI InChI=1S/C17H18N2O3/c1-12-5-3-8-16(13(12)2)18-10-9-17(20)14-6-4-7-15(11-14)19(21)22/h3-8,11,18H,9-10H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TR by DTNB-coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354289
PNG
(CHEMBL1836614)
Show SMILES COc1ccc(cc1)C1N(CCN2CCCCC2)C(C)=Nc2ccc(Cl)cc12
Show InChI InChI=1S/C23H28ClN3O/c1-17-25-22-11-8-19(24)16-21(22)23(18-6-9-20(28-2)10-7-18)27(17)15-14-26-12-4-3-5-13-26/h6-11,16,23H,3-5,12-15H2,1-2H3
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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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354316
PNG
(CHEMBL1836370)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1Cc1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C23H18ClF3N2/c1-15-28-21-11-10-19(24)13-20(21)22(17-7-3-2-4-8-17)29(15)14-16-6-5-9-18(12-16)23(25,26)27/h2-13,22H,14H2,1H3
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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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354296
PNG
(CHEMBL1836621)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1cccc(O)c1
Show InChI InChI=1S/C22H26ClN3O/c1-16-24-21-9-8-18(23)15-20(21)22(17-6-5-7-19(27)14-17)26(16)13-12-25-10-3-2-4-11-25/h5-9,14-15,22,27H,2-4,10-13H2,1H3
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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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354331
PNG
(CHEMBL1836558)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCNC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H22ClN3O/c1-17-27-22-13-12-20(25)16-21(22)23(18-8-4-2-5-9-18)28(17)15-14-26-24(29)19-10-6-3-7-11-19/h2-13,16,23H,14-15H2,1H3,(H,26,29)
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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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM34731
PNG
(1-(3-nitrophenyl)-3-phenylazanyl-propan-1-one | 3-...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)CCNc1ccccc1
Show InChI InChI=1S/C15H14N2O3/c18-15(9-10-16-13-6-2-1-3-7-13)12-5-4-8-14(11-12)17(19)20/h1-8,11,16H,9-10H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TR by DTNB-coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354327
PNG
(CHEMBL1836382)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCO)c1ccccc1
Show InChI InChI=1S/C17H17ClN2O/c1-12-19-16-8-7-14(18)11-15(16)17(20(12)9-10-21)13-5-3-2-4-6-13/h2-8,11,17,21H,9-10H2,1H3
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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


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More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354322
PNG
(CHEMBL1836376)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H26ClN3/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 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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50354312
PNG
(CHEMBL1836366)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21ClN2/c1-17-25-22-13-12-20(24)16-21(22)23(19-10-6-3-7-11-19)26(17)15-14-18-8-4-2-5-9-18/h2-13,16,23H,14-15H2,1H3
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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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM50201777
PNG
(2,6-di-tert-butyl-4-((2-hydroxyethylamino)methyl)p...)
Show SMILES CC(C)(C)c1cc(CNCCO)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C17H29NO2/c1-16(2,3)13-9-12(11-18-7-8-19)10-14(15(13)20)17(4,5)6/h9-10,18-20H,7-8,11H2,1-6H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TR by DTNB-coupled assay


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Ligand-Target Pair
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