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PubMed code 19364854

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335534
PNG
(1-(1-benzylpiperidin-4-yl)-3-(pyridin-3-yl)thioure...)
Show SMILES S=C(NC1CCN(Cc2ccccc2)CC1)Nc1cccnc1
Show InChI InChI=1S/C18H22N4S/c23-18(21-17-7-4-10-19-13-17)20-16-8-11-22(12-9-16)14-15-5-2-1-3-6-15/h1-7,10,13,16H,8-9,11-12,14H2,(H2,20,21,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335534
PNG
(1-(1-benzylpiperidin-4-yl)-3-(pyridin-3-yl)thioure...)
Show SMILES S=C(NC1CCN(Cc2ccccc2)CC1)Nc1cccnc1
Show InChI InChI=1S/C18H22N4S/c23-18(21-17-7-4-10-19-13-17)20-16-8-11-22(12-9-16)14-15-5-2-1-3-6-15/h1-7,10,13,16H,8-9,11-12,14H2,(H2,20,21,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335534
PNG
(1-(1-benzylpiperidin-4-yl)-3-(pyridin-3-yl)thioure...)
Show SMILES S=C(NC1CCN(Cc2ccccc2)CC1)Nc1cccnc1
Show InChI InChI=1S/C18H22N4S/c23-18(21-17-7-4-10-19-13-17)20-16-8-11-22(12-9-16)14-15-5-2-1-3-6-15/h1-7,10,13,16H,8-9,11-12,14H2,(H2,20,21,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335543
PNG
(1-(2-phenoxyethyl)-3-(2-(piperidin-1-yl)ethyl)-1H-...)
Show SMILES N=c1n(CCOc2ccccc2)c2ccccc2n1CCN1CCCCC1
Show InChI InChI=1S/C22H28N4O/c23-22-25(16-15-24-13-7-2-8-14-24)20-11-5-6-12-21(20)26(22)17-18-27-19-9-3-1-4-10-19/h1,3-6,9-12,23H,2,7-8,13-18H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335541
PNG
(4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyri...)
Show SMILES CC1=NC(NC(C)(C)C1)=Nc1nc(C)c2cc(C)cc(C)c2n1 |w:9.10,t:1|
Show InChI InChI=1S/C18H23N5/c1-10-7-11(2)15-14(8-10)13(4)20-16(21-15)22-17-19-12(3)9-18(5,6)23-17/h7-8H,9H2,1-6H3,(H,20,21,22,23)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335542
PNG
(2-(2-(3H-indol-3-ylidene)ethylidene)-1-methyl-1,2-...)
Show SMILES CN1\C(=C\C=C2/C=Nc3ccccc23)C=Cc2ccccc12 |c:6,16|
Show InChI InChI=1S/C20H16N2/c1-22-17(12-10-15-6-2-5-9-20(15)22)13-11-16-14-21-19-8-4-3-7-18(16)19/h2-14H,1H3/b16-11+,17-13+
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n/an/a 2.30E+4n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335540
PNG
(3-Methoxy-5-(3-methylthio-1,2,4-triazin-5-yl-)-1,2...)
Show SMILES COc1nncc(n1)-c1cnnc(SC)n1
Show InChI InChI=1S/C8H8N6OS/c1-15-7-11-5(3-9-13-7)6-4-10-14-8(12-6)16-2/h3-4H,1-2H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335547
PNG
(7-ethoxy-4-methyl-N-(4,4,6-trimethyl-4,5-dihydropy...)
Show SMILES CCOc1ccc2c(C)nc(NC3=NC(C)(C)CC(C)=N3)nc2c1 |c:19,t:12|
Show InChI InChI=1S/C18H23N5O/c1-6-24-13-7-8-14-12(3)20-16(21-15(14)9-13)22-17-19-11(2)10-18(4,5)23-17/h7-9H,6,10H2,1-5H3,(H,20,21,22,23)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335546
PNG
(7-ethyl-4-methyl-N-(4,4,6-trimethyl-4,5-dihydropyr...)
Show SMILES CCc1ccc2c(C)nc(NC3=NC(C)(C)CC(C)=N3)nc2c1 |c:18,t:11|
Show InChI InChI=1S/C18H23N5/c1-6-13-7-8-14-12(3)20-16(21-15(14)9-13)22-17-19-11(2)10-18(4,5)23-17/h7-9H,6,10H2,1-5H3,(H,20,21,22,23)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50313985
PNG
(8-methyl-8-azabicyclo[3.2.1]octan-3-one O-(4-chlor...)
Show SMILES [#6]-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-1-[#6]\[#6](-[#6]-2)=[#7]\[#8]-[#6](-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2O/c1-24-19-11-12-20(24)14-18(13-19)23-25-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,19-21H,11-14H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335535
PNG
(1-(1-benzylpiperidin-4-yl)-3-phenylthiourea | CHEM...)
Show SMILES S=C(NC1CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C19H23N3S/c23-19(20-17-9-5-2-6-10-17)21-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H2,20,21,23)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335539
PNG
(3-cyanoquinuclidin-3-yl acetate | CHEMBL1652416)
Show SMILES CC(=O)OC1(CN2CCC1CC2)C#N |(20.62,1.66,;19.29,.89,;19.28,-.65,;17.96,1.67,;16.62,.9,;16.62,-.64,;15.29,-1.4,;13.96,-.64,;13.96,.9,;15.29,1.68,;16.05,.35,;14.55,-.05,;16.61,2.44,;16.59,3.98,)|
Show InChI InChI=1S/C10H14N2O2/c1-8(13)14-10(6-11)7-12-4-2-9(10)3-5-12/h9H,2-5,7H2,1H3
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n/an/a 5.20E+4n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335550
PNG
(CHEMBL1652426 | N-(4,6-dimethylpyrimidin-2-yl)-4,6...)
Show SMILES Cc1ccc2nc(Nc3nc(C)cc(C)n3)nc(C)c2c1
Show InChI InChI=1S/C16H17N5/c1-9-5-6-14-13(7-9)12(4)19-16(20-14)21-15-17-10(2)8-11(3)18-15/h5-8H,1-4H3,(H,17,18,19,20,21)
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Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335548
PNG
(5,6-dimethyl-2-(4,6,8-trimethylquinazolin-2-ylamin...)
Show SMILES Cc1cc(C)c2nc(Nc3nc(C)c(C)c(=O)[nH]3)nc(C)c2c1
Show InChI InChI=1S/C17H19N5O/c1-8-6-9(2)14-13(7-8)12(5)19-16(20-14)22-17-18-11(4)10(3)15(23)21-17/h6-7H,1-5H3,(H2,18,19,20,21,22,23)
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Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335545
PNG
(3-(methylthio)-5-phenyl-1,2,4-triazine | CHEMBL136...)
Show SMILES CSc1nncc(n1)-c1ccccc1
Show InChI InChI=1S/C10H9N3S/c1-14-10-12-9(7-11-13-10)8-5-3-2-4-6-8/h2-7H,1H3
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Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335537
PNG
(1-(1-benzylpiperidin-4-yl)-3-(pyridin-3-yl)urea | ...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)Nc1cccnc1
Show InChI InChI=1S/C18H22N4O/c23-18(21-17-7-4-10-19-13-17)20-16-8-11-22(12-9-16)14-15-5-2-1-3-6-15/h1-7,10,13,16H,8-9,11-12,14H2,(H2,20,21,23)
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Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335551
PNG
(1-(4,6,8-trimethylquinazolin-2-yl)guanidine | CHEM...)
Show SMILES [#6]-c1cc(-[#6])c2nc(\[#7]=[#6](\[#7])-[#7])nc(-[#6])c2c1
Show InChI InChI=1S/C12H15N5/c1-6-4-7(2)10-9(5-6)8(3)15-12(16-10)17-11(13)14/h4-5H,1-3H3,(H4,13,14,15,16,17)
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Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335538
PNG
(1-(1-ethylpiperidin-4-yl)-3-(pyridin-3-yl)thiourea...)
Show SMILES CCN1CCC(CC1)NC(=S)Nc1cccnc1
Show InChI InChI=1S/C13H20N4S/c1-2-17-8-5-11(6-9-17)15-13(18)16-12-4-3-7-14-10-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H2,15,16,18)
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Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335536
PNG
(1-(1-benzylpiperidin-4-yl)-3-propylthiourea | CHEM...)
Show SMILES CCCNC(=S)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C16H25N3S/c1-2-10-17-16(20)18-15-8-11-19(12-9-15)13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H2,17,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335549
PNG
(CHEMBL1652425 | N-(4,6-dimethylpyrimidin-2-yl)-4,5...)
Show SMILES Cc1cc(C)c2c(C)nc(Nc3nc(C)cc(C)n3)nc2c1
Show InChI InChI=1S/C17H19N5/c1-9-6-10(2)15-13(5)20-17(21-14(15)7-9)22-16-18-11(3)8-12(4)19-16/h6-8H,1-5H3,(H,18,19,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335544
PNG
(1-(methylthio)-4-(3-(methylthio)-1,2,4-triazin-5-y...)
Show SMILES CSc1nncc(n1)-c1cnc(SC)c2CCCCc12
Show InChI InChI=1S/C14H16N4S2/c1-19-13-10-6-4-3-5-9(10)11(7-15-13)12-8-16-18-14(17-12)20-2/h7-8H,3-6H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50335543
PNG
(1-(2-phenoxyethyl)-3-(2-(piperidin-1-yl)ethyl)-1H-...)
Show SMILES N=c1n(CCOc2ccccc2)c2ccccc2n1CCN1CCCCC1
Show InChI InChI=1S/C22H28N4O/c23-22-25(16-15-24-13-7-2-8-14-24)20-11-5-6-12-21(20)26(22)17-18-27-19-9-3-1-4-10-19/h1,3-6,9-12,23H,2,7-8,13-18H2
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Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50335552
PNG
(1-(4-methylquinazolin-2-yl)guanidine | CHEMBL60236...)
Show SMILES [#6]-c1nc(\[#7]=[#6](/[#7])-[#7])nc2ccccc12
Show InChI InChI=1S/C10H11N5/c1-6-7-4-2-3-5-8(7)14-10(13-6)15-9(11)12/h2-5H,1H3,(H4,11,12,13,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis

Antimicrob Agents Chemother 53: 2824-33 (2009)


Article DOI: 10.1128/AAC.01568-08
BindingDB Entry DOI: 10.7270/Q2QV3MSN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%