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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'speers' and Initial = 'p'   
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


(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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1.08E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (T. cruzi) Trypanothione reductase (linear competitive type)


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50062260
PNG
(CHEMBL38403 | [3-(2-Chloro-phenothiazin-10-yl)-pro...)
Show SMILES CCCN=NCCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H20ClN3S/c1-2-10-20-21-11-5-12-22-15-6-3-4-7-17(15)23-18-9-8-14(19)13-16(18)22/h3-4,6-9,13H,2,5,10-12H2,1H3/b21-20-
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1.87E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (T. cruzi) Trypanothione reductase (linear competitive type)


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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2.12E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (T. cruzi) Trypanothione reductase (linear competitive type)


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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2.30E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (T. cruzi) Trypanothione reductase (linear competitive type)


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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3.02E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (T. cruzi) Trypanothione reductase (linear competitive type)


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM67545
PNG
(N,N-dimethyl-3-(10-phenothiazinyl)-1-propanamine;h...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
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5.91E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (T. cruzi) Trypanothione reductase (linear competitive type)


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50062261
PNG
(CHEMBL829 | Dimethyl-(2-methyl-3-phenothiazin-10-y...)
Show SMILES CC(CN(C)C)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
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1.27E+5n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (T. cruzi) Trypanothione reductase (linear competitive type)


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50017696
PNG
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)
Show SMILES CC(CN1c2ccccc2Sc2ccccc12)N(C)C
Show InChI InChI=1/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
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2.16E+5n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (T. cruzi) Trypanothione reductase (linear competitive type)


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
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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n/an/a 3.54E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408478
PNG
(CHEMBL418611)
Show SMILES CC(=O)N1c2cc(ccc2Sc2ccc(cc12)C(C)=O)C(C)=O
Show InChI InChI=1S/C18H15NO3S/c1-10(20)13-4-6-17-15(8-13)19(12(3)22)16-9-14(11(2)21)5-7-18(16)23-17/h4-9H,1-3H3
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n/an/a 4.91E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/a 7.20E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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n/an/a 7.37E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408507
PNG
(CHLOROPROMAZINE SULFOXIDE | Chlorpromazine sulfoxi...)
Show SMILES CN(C)CCCN1c2ccccc2S(=O)c2ccc(Cl)cc12
Show InChI InChI=1/C17H19ClN2OS/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)22(21)17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 7.66E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408504
PNG
(CHEMBL41531)
Show SMILES Clc1ccc2Sc3ccccc3N(N3CCC3)c2c1
Show InChI InChI=1S/C15H13ClN2S/c16-11-6-7-15-13(10-11)18(17-8-3-9-17)12-4-1-2-5-14(12)19-15/h1-2,4-7,10H,3,8-9H2
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n/an/a 8.08E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408486
PNG
(CHEMBL288428)
Show SMILES CCN(CC)CCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H21ClN2S/c1-3-20(4-2)11-12-21-15-7-5-6-8-17(15)22-18-10-9-14(19)13-16(18)21/h5-10,13H,3-4,11-12H2,1-2H3
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n/an/a 8.13E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408490
PNG
(CHEMBL288636)
Show SMILES CCCC(=O)N1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H14ClNOS/c1-2-5-16(19)18-12-6-3-4-7-14(12)20-15-9-8-11(17)10-13(15)18/h3-4,6-10H,2,5H2,1H3
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n/an/a 9.50E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50062260
PNG
(CHEMBL38403 | [3-(2-Chloro-phenothiazin-10-yl)-pro...)
Show SMILES CCCN=NCCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H20ClN3S/c1-2-10-20-21-11-5-12-22-15-6-3-4-7-17(15)23-18-9-8-14(19)13-16(18)22/h3-4,6-9,13H,2,5,10-12H2,1H3/b21-20-
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n/an/a 9.55E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM67545
PNG
(N,N-dimethyl-3-(10-phenothiazinyl)-1-propanamine;h...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
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n/an/a 1.08E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408489
PNG
(CHEMBL825 | Nor1-Chlorpromazine)
Show SMILES CNCCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H17ClN2S/c1-18-9-4-10-19-13-5-2-3-6-15(13)20-16-8-7-12(17)11-14(16)19/h2-3,5-8,11,18H,4,9-10H2,1H3
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n/an/a 1.26E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50339134
PNG
(3-(2-Chloro-phenothiazin-10-yl)-propylamine | 3-(2...)
Show SMILES NCCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C15H15ClN2S/c16-11-6-7-15-13(10-11)18(9-3-8-17)12-4-1-2-5-14(12)19-15/h1-2,4-7,10H,3,8-9,17H2
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n/an/a 1.39E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408498
PNG
(CHEMBL288335)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(CN=O)cc12
Show InChI InChI=1S/C18H21N3OS/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)23-18-9-8-14(13-19-22)12-16(18)21/h3-4,6-9,12H,5,10-11,13H2,1-2H3
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n/an/a 1.45E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50092945
PNG
(CHEMBL27194 | [2-(2-Chloro-phenothiazin-10-yl)-eth...)
Show SMILES CN(C)CCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H17ClN2S/c1-18(2)9-10-19-13-5-3-4-6-15(13)20-16-8-7-12(17)11-14(16)19/h3-8,11H,9-10H2,1-2H3
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n/an/a 1.50E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408501
PNG
(CHEMBL39288)
Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CCC(=O)NNc3ccccc3)c2c1
Show InChI InChI=1S/C22H18ClN3O2S/c23-15-10-11-20-18(14-15)26(17-8-4-5-9-19(17)29-20)22(28)13-12-21(27)25-24-16-6-2-1-3-7-16/h1-11,14,24H,12-13H2,(H,25,27)
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n/an/a 1.51E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408492
PNG
(CHEMBL39598)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(COc3ccc(cc3)C(C)(C)C)cc12
Show InChI InChI=1S/C28H34N2OS/c1-28(2,3)22-12-14-23(15-13-22)31-20-21-11-16-27-25(19-21)30(18-8-17-29(4)5)24-9-6-7-10-26(24)32-27/h6-7,9-16,19H,8,17-18,20H2,1-5H3
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n/an/a 1.61E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408511
PNG
(CHEMBL289609)
Show SMILES CCCCCC(=O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1
Show InChI InChI=1S/C23H30N2OS/c1-4-5-6-11-21(26)18-13-14-23-20(17-18)25(16-9-15-24(2)3)19-10-7-8-12-22(19)27-23/h7-8,10,12-14,17H,4-6,9,11,15-16H2,1-3H3
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n/an/a 1.71E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408500
PNG
(CHEMBL38682)
Show SMILES CN(C)CCCN1c2cc(Cl)ccc2Sc2ccc(cc12)C(C)=O
Show InChI InChI=1S/C19H21ClN2OS/c1-13(23)14-5-7-18-16(11-14)22(10-4-9-21(2)3)17-12-15(20)6-8-19(17)24-18/h5-8,11-12H,4,9-10H2,1-3H3
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n/an/a 1.75E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408502
PNG
(CHEMBL39240)
Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CCC(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C23H19ClN2O2S/c24-17-10-11-21-19(14-17)26(18-8-4-5-9-20(18)29-21)23(28)13-12-22(27)25-15-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,27)
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n/an/a 1.88E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408506
PNG
(CHEMBL287756)
Show SMILES CN(C)CCCN1c2cc(Cl)ccc2Sc2ccc(cc12)C(C)=NOC(=O)c1ccccc1
Show InChI InChI=1S/C26H26ClN3O2S/c1-18(28-32-26(31)19-8-5-4-6-9-19)20-10-12-24-22(16-20)30(15-7-14-29(2)3)23-17-21(27)11-13-25(23)33-24/h4-6,8-13,16-17H,7,14-15H2,1-3H3/b28-18+
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n/an/a 1.99E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408481
PNG
(CHEMBL37043)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=NOC(=O)c1ccccc1
Show InChI InChI=1S/C26H27N3O2S/c1-19(27-31-26(30)20-10-5-4-6-11-20)21-14-15-25-23(18-21)29(17-9-16-28(2)3)22-12-7-8-13-24(22)32-25/h4-8,10-15,18H,9,16-17H2,1-3H3/b27-19-
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n/an/a 2.04E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408493
PNG
(CHEMBL39382)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(CN)cc12
Show InChI InChI=1S/C18H23N3S/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)22-18-9-8-14(13-19)12-16(18)21/h3-4,6-9,12H,5,10-11,13,19H2,1-2H3
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n/an/a 2.19E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50062261
PNG
(CHEMBL829 | Dimethyl-(2-methyl-3-phenothiazin-10-y...)
Show SMILES CC(CN(C)C)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
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n/an/a 2.49E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408513
PNG
(CHEMBL288645)
Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CBr)c2c1
Show InChI InChI=1S/C14H9BrClNOS/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 2.51E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408484
PNG
(CHEMBL287933)
Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CNc3ccccc3)c2c1
Show InChI InChI=1S/C20H15ClN2OS/c21-14-10-11-19-17(12-14)23(16-8-4-5-9-18(16)25-19)20(24)13-22-15-6-2-1-3-7-15/h1-12,22H,13H2
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n/an/a 2.56E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50017696
PNG
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)
Show SMILES CC(CN1c2ccccc2Sc2ccccc12)N(C)C
Show InChI InChI=1/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
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n/an/a 2.71E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408483
PNG
(CHEMBL38869)
Show SMILES CCCC(=O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1
Show InChI InChI=1S/C21H26N2OS/c1-4-8-19(24)16-11-12-21-18(15-16)23(14-7-13-22(2)3)17-9-5-6-10-20(17)25-21/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3
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n/an/a 3.01E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408485
PNG
(CHEMBL39271)
Show SMILES NC(=N)CCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C15H14ClN3S/c16-10-5-6-14-12(9-10)19(8-7-15(17)18)11-3-1-2-4-13(11)20-14/h1-6,9H,7-8H2,(H3,17,18)
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n/an/a 3.07E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408505
PNG
(CHEMBL41654)
Show SMILES CCN(CC)CCCC(=O)N1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C20H23ClN2OS/c1-3-22(4-2)13-7-10-20(24)23-16-8-5-6-9-18(16)25-19-12-11-15(21)14-17(19)23/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3
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n/an/a 3.20E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408512
PNG
(CHEMBL418429)
Show SMILES COC(=O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1
Show InChI InChI=1S/C19H22N2O2S/c1-20(2)11-6-12-21-15-7-4-5-8-17(15)24-18-10-9-14(13-16(18)21)19(22)23-3/h4-5,7-10,13H,6,11-12H2,1-3H3
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n/an/a 3.48E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408476
PNG
(CHEMBL39018)
Show SMILES CO\N=C(\C)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1
Show InChI InChI=1S/C20H25N3OS/c1-15(21-24-4)16-10-11-20-18(14-16)23(13-7-12-22(2)3)17-8-5-6-9-19(17)25-20/h5-6,8-11,14H,7,12-13H2,1-4H3/b21-15-
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n/an/a 3.51E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408509
PNG
(CHEMBL41169)
Show SMILES CCC(=O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1
Show InChI InChI=1S/C20H24N2OS/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20/h5-6,8-11,14H,4,7,12-13H2,1-3H3
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n/an/a 3.57E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408508
PNG
(CHEMBL288589)
Show SMILES CC(=O)N1c2cc(Cl)ccc2Sc2ccc(cc12)C(C)=O
Show InChI InChI=1S/C16H12ClNO2S/c1-9(19)11-3-5-15-13(7-11)18(10(2)20)14-8-12(17)4-6-16(14)21-15/h3-8H,1-2H3
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n/an/a 4.02E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408488
PNG
(CHEMBL40332)
Show SMILES CC(=O)N1c2ccccc2Sc2ccc(cc12)C(=O)CCl
Show InChI InChI=1S/C16H12ClNO2S/c1-10(19)18-12-4-2-3-5-15(12)21-16-7-6-11(8-13(16)18)14(20)9-17/h2-8H,9H2,1H3
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n/an/a 4.36E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408480
PNG
(CHEMBL36378)
Show SMILES CCN(CC)CCCCCC(=O)N1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C22H27ClN2OS/c1-3-24(4-2)15-9-5-6-12-22(26)25-18-10-7-8-11-20(18)27-21-14-13-17(23)16-19(21)25/h7-8,10-11,13-14,16H,3-6,9,12,15H2,1-2H3
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n/an/a 4.57E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408487
PNG
(CHEMBL43029)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(N)=O
Show InChI InChI=1S/C18H21N3OS/c1-20(2)10-5-11-21-14-6-3-4-7-16(14)23-17-9-8-13(18(19)22)12-15(17)21/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,19,22)
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n/an/a 4.58E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408482
PNG
(CHEMBL39234)
Show SMILES CN(C)CCCN1c2cc(ccc2Sc2ccc(cc12)C(C)=O)C(C)=O
Show InChI InChI=1S/C21H24N2O2S/c1-14(24)16-6-8-20-18(12-16)23(11-5-10-22(3)4)19-13-17(15(2)25)7-9-21(19)26-20/h6-9,12-13H,5,10-11H2,1-4H3
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n/an/a 4.72E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50131719
PNG
(CHEMBL39560 | acepromazine)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O
Show InChI InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
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n/an/a 5.02E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408494
PNG
(CHEMBL38435)
Show SMILES CN(C)CCCN1c2ccccc2Sc2c(Cl)cccc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)11-6-12-20-14-8-3-4-10-16(14)21-17-13(18)7-5-9-15(17)20/h3-5,7-10H,6,11-12H2,1-2H3
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n/an/a 7.65E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408496
PNG
(CHLORACYZINE)
Show SMILES CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2OS/c1-3-21(4-2)12-11-19(23)22-15-7-5-6-8-17(15)24-18-10-9-14(20)13-16(18)22/h5-10,13H,3-4,11-12H2,1-2H3
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n/an/a 8.02E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408497
PNG
(CHEMBL42963)
Show SMILES CCN(CC)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H19ClN2OS/c1-3-20(4-2)12-18(22)21-14-7-5-6-8-16(14)23-17-10-9-13(19)11-15(17)21/h5-11H,3-4,12H2,1-2H3
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n/an/a 8.29E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
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