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Compile Data Set for Download or QSAR

Found 168 hits of ic50 for UniProtKB: P11411   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM46667
PNG
(2-phenyl-1,2-benzothiazol-3-one | 2-phenyl-1,2-ben...)
Show SMILES O=c1n(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM43272
PNG
(4-chloranyl-2-[(4-methoxyphenyl)carbonylamino]benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C15H12ClNO4/c1-21-11-5-2-9(3-6-11)14(18)17-13-8-10(16)4-7-12(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM46057
PNG
(5-fluoranyl-2-phenyl-1,2-benzothiazol-3-one | 5-fl...)
Show SMILES Fc1ccc2sn(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C13H8FNOS/c14-9-6-7-12-11(8-9)13(16)15(17-12)10-4-2-1-3-5-10/h1-8H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61903
PNG
(2-(2-chlorophenyl)-1,2-benzothiazol-3-one | KUC103...)
Show SMILES Clc1ccccc1-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H8ClNOS/c14-10-6-2-3-7-11(10)15-13(16)9-5-1-4-8-12(9)17-15/h1-8H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61905
PNG
(2-(3-fluorophenyl)-1,2-benzothiazol-3-one | KUC103...)
Show SMILES Fc1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H8FNOS/c14-9-4-3-5-10(8-9)15-13(16)11-6-1-2-7-12(11)17-15/h1-8H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61907
PNG
(2-(2-fluorophenyl)-1,2-benzothiazol-3-one | KUC103...)
Show SMILES Fc1ccccc1-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H8FNOS/c14-10-6-2-3-7-11(10)15-13(16)9-5-1-4-8-12(9)17-15/h1-8H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM46695
PNG
(2-(3-chlorophenyl)-1,2-benzothiazol-3-one | MLS-03...)
Show SMILES Clc1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H8ClNOS/c14-9-4-3-5-10(8-9)15-13(16)11-6-1-2-7-12(11)17-15/h1-8H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM46691
PNG
(2-(4-chlorophenyl)-1,2-benzothiazol-3-one | MLS-03...)
Show SMILES Clc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H8ClNOS/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61911
PNG
(1H-2,1-benzothiazol-3-one | KUC103850N | cid_73483...)
Show SMILES O=c1s[nH]c2ccccc12
Show InChI InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)8-10-7/h1-4,8H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61912
PNG
(1-methyl-2,1-benzothiazol-3-one | KUC103851N | cid...)
Show SMILES Cn1sc(=O)c2ccccc12
Show InChI InChI=1S/C8H7NOS/c1-9-7-5-3-2-4-6(7)8(10)11-9/h2-5H,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61913
PNG
(2-benzyl-6-fluoro-1,2-benzothiazol-3-one | 6-fluor...)
Show SMILES Fc1ccc2c(c1)sn(Cc1ccccc1)c2=O
Show InChI InChI=1S/C14H10FNOS/c15-11-6-7-12-13(8-11)18-16(14(12)17)9-10-4-2-1-3-5-10/h1-8H,9H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61914
PNG
(2-(2,4-dimethylphenyl)-6-fluoranyl-1,2-benzothiazo...)
Show SMILES Cc1ccc(c(C)c1)-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C15H12FNOS/c1-9-3-6-13(10(2)7-9)17-15(18)12-5-4-11(16)8-14(12)19-17/h3-8H,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61915
PNG
(2-(2-methoxyphenyl)-1,2-benzothiazol-3-one | KUC10...)
Show SMILES COc1ccccc1-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NO2S/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18-15/h2-9H,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM46694
PNG
(2-(3-methoxyphenyl)-1,2-benzothiazol-3-one | MLS-0...)
Show SMILES COc1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NO2S/c1-17-11-6-4-5-10(9-11)15-14(16)12-7-2-3-8-13(12)18-15/h2-9H,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM34849
PNG
(6-fluoranyl-2-(2-methylphenyl)-1,2-benzothiazol-3-...)
Show SMILES Cc1ccccc1-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FNOS/c1-9-4-2-3-5-12(9)16-14(17)11-7-6-10(15)8-13(11)18-16/h2-8H,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61916
PNG
(2-(4-methoxyphenyl)-1,2-benzothiazol-3-one | KSC-6...)
Show SMILES COc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NO2S/c1-17-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18-15/h2-9H,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61917
PNG
(5-nitro-2-phenyl-1,2-benzothiazol-3-one | KSC-09-0...)
Show SMILES [O-][N+](=O)c1ccc2sn(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C13H8N2O3S/c16-13-11-8-10(15(17)18)6-7-12(11)19-14(13)9-4-2-1-3-5-9/h1-8H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61918
PNG
(2-(2-methylphenyl)-3H-isoindol-1-one | 2-(o-tolyl)...)
Show SMILES Cc1ccccc1N1Cc2ccccc2C1=O
Show InChI InChI=1S/C15H13NO/c1-11-6-2-5-9-14(11)16-10-12-7-3-4-8-13(12)15(16)17/h2-9H,10H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61919
PNG
(5-fluoranyl-N-phenyl-2-sulfanyl-benzamide | 5-fluo...)
Show SMILES Fc1ccc(S)c(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H10FNOS/c14-9-6-7-12(17)11(8-9)13(16)15-10-4-2-1-3-5-10/h1-8,17H,(H,15,16)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61920
PNG
(2-(2-chlorophenyl)-5-fluoranyl-1,2-benzothiazol-3-...)
Show SMILES Fc1ccc2sn(-c3ccccc3Cl)c(=O)c2c1
Show InChI InChI=1S/C13H7ClFNOS/c14-10-3-1-2-4-11(10)16-13(17)9-7-8(15)5-6-12(9)18-16/h1-7H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61921
PNG
(2-(benzylthio)-N-(4-methoxyphenyl)benzamide | 2-be...)
Show SMILES COc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1
Show InChI InChI=1S/C21H19NO2S/c1-24-18-13-11-17(12-14-18)22-21(23)19-9-5-6-10-20(19)25-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,22,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61922
PNG
(2-(2,4-dichlorophenyl)-1,2-benzothiazol-3-one | KS...)
Show SMILES Clc1ccc(c(Cl)c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H7Cl2NOS/c14-8-5-6-11(10(15)7-8)16-13(17)9-3-1-2-4-12(9)18-16/h1-7H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM50037078
PNG
(2-(Phenyl)-isothiazolo[5,4-b]pyridin-3(2H)-one | 2...)
Show SMILES O=c1n(sc2ncccc12)-c1ccccc1
Show InChI InChI=1S/C12H8N2OS/c15-12-10-7-4-8-13-11(10)16-14(12)9-5-2-1-3-6-9/h1-8H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


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Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61923
PNG
(KSC-6-110 | KUC103884N | N-(3-keto-2-phenyl-1,2-be...)
Show SMILES CC(=O)Nc1ccc2sn(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C15H12N2O2S/c1-10(18)16-11-7-8-14-13(9-11)15(19)17(20-14)12-5-3-2-4-6-12/h2-9H,1H3,(H,16,18)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61924
PNG
(2-phenyl-5-(trifluoromethyl)-1,2-benzothiazol-3-on...)
Show SMILES FC(F)(F)c1ccc2sn(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C14H8F3NOS/c15-14(16,17)9-6-7-12-11(8-9)13(19)18(20-12)10-4-2-1-3-5-10/h1-8H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61925
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-phenyl-acetamid...)
Show SMILES O=C(Cn1sc2ccccc2c1=O)Nc1ccccc1
Show InChI InChI=1S/C15H12N2O2S/c18-14(16-11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)20-17/h1-9H,10H2,(H,16,18)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61926
PNG
(KSC-4-254 | KUC104123N | N-(4-fluorophenyl)-2-(3-k...)
Show SMILES Fc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C15H11FN2O2S/c16-10-5-7-11(8-6-10)17-14(19)9-18-15(20)12-3-1-2-4-13(12)21-18/h1-8H,9H2,(H,17,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61927
PNG
(5-methoxy-2-phenyl-1,2-benzothiazol-3-one | KSC-09...)
Show SMILES COc1ccc2sn(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C14H11NO2S/c1-17-11-7-8-13-12(9-11)14(16)15(18-13)10-5-3-2-4-6-10/h2-9H,1H3
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University of Pittsburgh Molecular Library Screening Center

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Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM34966
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM46634
PNG
(6-nitro-2-phenyl-1,2-benzothiazol-3-one | MLS-0315...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)sn(-c1ccccc1)c2=O
Show InChI InChI=1S/C13H8N2O3S/c16-13-11-7-6-10(15(17)18)8-12(11)19-14(13)9-4-2-1-3-5-9/h1-8H
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University of Pittsburgh Molecular Library Screening Center

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Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61928
PNG
(KSC-4-252 | KUC104127N | N-(4-bromophenyl)-2-(3-ke...)
Show SMILES Brc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C15H11BrN2O2S/c16-10-5-7-11(8-6-10)17-14(19)9-18-15(20)12-3-1-2-4-13(12)21-18/h1-8H,9H2,(H,17,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61929
PNG
(KSC-4-253 | KUC104128N | N-(4-iodophenyl)-2-(3-ket...)
Show SMILES Ic1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C15H11IN2O2S/c16-10-5-7-11(8-6-10)17-14(19)9-18-15(20)12-3-1-2-4-13(12)21-18/h1-8H,9H2,(H,17,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61930
PNG
(3-keto-2-phenyl-1,2-benzothiazole-6-carbonitrile |...)
Show SMILES O=c1n(sc2cc(ccc12)C#N)-c1ccccc1
Show InChI InChI=1S/C14H8N2OS/c15-9-10-6-7-12-13(8-10)18-16(14(12)17)11-4-2-1-3-5-11/h1-8H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61931
PNG
(KSC-6-119 | KUC104218N | N-(3-keto-2-phenyl-1,2-be...)
Show SMILES CC(=O)Nc1ccc2c(c1)sn(-c1ccccc1)c2=O
Show InChI InChI=1S/C15H12N2O2S/c1-10(18)16-11-7-8-13-14(9-11)20-17(15(13)19)12-5-3-2-4-6-12/h2-9H,1H3,(H,16,18)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61932
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-(p-tolyl)acetam...)
Show SMILES Cc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H14N2O2S/c1-11-6-8-12(9-7-11)17-15(19)10-18-16(20)13-4-2-3-5-14(13)21-18/h2-9H,10H2,1H3,(H,17,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61933
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-(3-methoxypheny...)
Show SMILES COc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
Show InChI InChI=1S/C16H14N2O3S/c1-21-12-6-4-5-11(9-12)17-15(19)10-18-16(20)13-7-2-3-8-14(13)22-18/h2-9H,10H2,1H3,(H,17,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61934
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-[3-(trifluorome...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
Show InChI InChI=1S/C16H11F3N2O2S/c17-16(18,19)10-4-3-5-11(8-10)20-14(22)9-21-15(23)12-6-1-2-7-13(12)24-21/h1-8H,9H2,(H,20,22)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61935
PNG
(KSC-4-262 | KUC104222N | N-(3-iodanylphenyl)-2-(3-...)
Show SMILES Ic1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
Show InChI InChI=1S/C15H11IN2O2S/c16-10-4-3-5-11(8-10)17-14(19)9-18-15(20)12-6-1-2-7-13(12)21-18/h1-8H,9H2,(H,17,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61936
PNG
(KSC-4-272 | KUC104223N | N-(4-chlorophenyl)-2-(3-k...)
Show SMILES Clc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C15H11ClN2O2S/c16-10-5-7-11(8-6-10)17-14(19)9-18-15(20)12-3-1-2-4-13(12)21-18/h1-8H,9H2,(H,17,19)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61937
PNG
(3-keto-2-phenyl-1,2-benzothiazole-5-carbonitrile |...)
Show SMILES O=c1n(sc2ccc(cc12)C#N)-c1ccccc1
Show InChI InChI=1S/C14H8N2OS/c15-9-10-6-7-13-12(8-10)14(17)16(18-13)11-4-2-1-3-5-11/h1-8H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61938
PNG
(1-methyl-2-phenyl-3-indazolone | 1-methyl-2-phenyl...)
Show SMILES Cn1n(-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C14H12N2O/c1-15-13-10-6-5-9-12(13)14(17)16(15)11-7-3-2-4-8-11/h2-10H,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61939
PNG
(5,6-bis(fluoranyl)-2-phenyl-1,2-benzothiazol-3-one...)
Show SMILES Fc1cc2sn(-c3ccccc3)c(=O)c2cc1F
Show InChI InChI=1S/C13H7F2NOS/c14-10-6-9-12(7-11(10)15)18-16(13(9)17)8-4-2-1-3-5-8/h1-7H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM50240683
PNG
(2-Phenyl-isothiazol-3-one | 2-phenylisothiazol-3(2...)
Show SMILES O=c1ccsn1-c1ccccc1
Show InChI InChI=1S/C9H7NOS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h1-7H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61940
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-(4-methoxypheny...)
Show SMILES COc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H14N2O3S/c1-21-12-8-6-11(7-9-12)17-15(19)10-18-16(20)13-4-2-3-5-14(13)22-18/h2-9H,10H2,1H3,(H,17,19)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61941
PNG
(KSC-4-281 | KUC104552N | N-(4-cyanophenyl)-2-(3-ke...)
Show SMILES O=C(Cn1sc2ccccc2c1=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C16H11N3O2S/c17-9-11-5-7-12(8-6-11)18-15(20)10-19-16(21)13-3-1-2-4-14(13)22-19/h1-8H,10H2,(H,18,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61942
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-(o-tolyl)acetam...)
Show SMILES Cc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c1-11-6-2-4-8-13(11)17-15(19)10-18-16(20)12-7-3-5-9-14(12)21-18/h2-9H,10H2,1H3,(H,17,19)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61943
PNG
(2-(3-oxidanylidene-1,2-benzothiazol-2-yl)-N-(pheny...)
Show SMILES O=C(Cn1sc2ccccc2c1=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N2O2S/c19-15(17-10-12-6-2-1-3-7-12)11-18-16(20)13-8-4-5-9-14(13)21-18/h1-9H,10-11H2,(H,17,19)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61944
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)acetic acid ethyl ...)
Show SMILES CCOC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C11H11NO3S/c1-2-15-10(13)7-12-11(14)8-5-3-4-6-9(8)16-12/h3-6H,2,7H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM61945
PNG
(3-oxidanylidene-N-(phenylmethyl)-1,2-benzothiazole...)
Show SMILES O=C(NCc1ccccc1)n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H12N2O2S/c18-14-12-8-4-5-9-13(12)20-17(14)15(19)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,19)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Leuconostoc mesenteroides)
BDBM50247586
PNG
(5-Methyl-2-N-Phenylisothiazol-3(2H)-one | CHEMBL48...)
Show SMILES Cc1cc(=O)n(s1)-c1ccccc1
Show InChI InChI=1S/C10H9NOS/c1-8-7-10(12)11(13-8)9-5-3-2-4-6-9/h2-7H,1H3
PDB
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PC cid
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UniChem

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PCBioAssay
n/an/a>2.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
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