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Found 35 hits Enz. Inhib. hit(s) with Target = 'Triosephosphate isomerase'   
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
Triosephosphate isomerase


(Oryctolagus cuniculus)		BDBM50167777
PNG
(2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate |...)
Show SMILES ONC(=O)COP(O)(O)=O
Show InChI InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
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 3.00E+3n/an/an/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against rabbit muscle triose-phosphate isomerase

Bioorg Med Chem Lett 15: 2906-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.061
BindingDB Entry DOI: 10.7270/Q25M6589
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))		BDBM50167777
PNG
(2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate |...)
Show SMILES ONC(=O)COP(O)(O)=O
Show InChI InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
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 3.00E+3n/an/an/an/an/an/an/an/a



UMR 8182

Curated by ChEMBL


Assay Description
Inhibition of triosephosphate isomerase

Bioorg Med Chem Lett 17: 410-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.030
BindingDB Entry DOI: 10.7270/Q2639QK7
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))		BDBM50167777
PNG
(2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate |...)
Show SMILES ONC(=O)COP(O)(O)=O
Show InChI InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
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 4.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Triosephosphate isomerase

Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Oryctolagus cuniculus)		BDBM50167775
PNG
((Z)-2-amino-2-(hydroxyimino)ethyl hydrogen phospha...)
Show SMILES ONC(=N)COP(O)(O)=O
Show InChI InChI=1S/C2H7N2O5P/c3-2(4-5)1-9-10(6,7)8/h5H,1H2,(H2,3,4)(H2,6,7,8)
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 4.50E+3n/an/an/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against rabbit muscle triose-phosphate isomerase

Bioorg Med Chem Lett 15: 2906-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.061
BindingDB Entry DOI: 10.7270/Q25M6589
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))		BDBM50167775
PNG
((Z)-2-amino-2-(hydroxyimino)ethyl hydrogen phospha...)
Show SMILES ONC(=N)COP(O)(O)=O
Show InChI InChI=1S/C2H7N2O5P/c3-2(4-5)1-9-10(6,7)8/h5H,1H2,(H2,3,4)(H2,6,7,8)
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 4.50E+3n/an/an/an/an/an/an/an/a



UMR 8182

Curated by ChEMBL


Assay Description
Inhibition of triosephosphate isomerase

Bioorg Med Chem Lett 17: 410-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.030
BindingDB Entry DOI: 10.7270/Q2639QK7
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))		BDBM50113828
PNG
(CHEMBL311322 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H58N6O6/c1-24(2)17-27(33(45)38-6)20-32(44)29(18-25-13-9-7-10-14-25)41-35(47)31(21-28-22-39-23-40-28)42-34(46)30(19-26-15-11-8-12-16-26)43-36(48)49-37(3,4)5/h8,11-12,15-16,22-25,27,29-32,44H,7,9-10,13-14,17-21H2,1-6H3,(H,38,45)(H,39,40)(H,41,47)(H,42,46)(H,43,48)/t27-,29+,30?,31?,32+/m1/s1
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 1.50E+4n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Triosephosphate isomerase

J Med Chem 45: 2469-83 (2002)


BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))		BDBM50167772
PNG
(2-hydrazinyl-2-oxoethyl hydrogen phosphate | CHEMB...)
Show SMILES NNC(=O)COP(O)(O)=O
Show InChI InChI=1S/C2H7N2O5P/c3-4-2(5)1-9-10(6,7)8/h1,3H2,(H,4,5)(H2,6,7,8)
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 1.11E+5n/an/an/an/an/an/an/an/a



UMR 8182

Curated by ChEMBL


Assay Description
Inhibition of triosephosphate isomerase

Bioorg Med Chem Lett 17: 410-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.030
BindingDB Entry DOI: 10.7270/Q2639QK7
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Oryctolagus cuniculus)		BDBM50167772
PNG
(2-hydrazinyl-2-oxoethyl hydrogen phosphate | CHEMB...)
Show SMILES NNC(=O)COP(O)(O)=O
Show InChI InChI=1S/C2H7N2O5P/c3-4-2(5)1-9-10(6,7)8/h1,3H2,(H,4,5)(H2,6,7,8)
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 1.11E+5n/an/an/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against rabbit muscle triose-phosphate isomerase

Bioorg Med Chem Lett 15: 2906-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.061
BindingDB Entry DOI: 10.7270/Q25M6589
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Oryctolagus cuniculus)		BDBM50167776
PNG
((2-Hydroxycarbamoyl-ethyl)-phosphonic acid | 3-(hy...)
Show SMILES ONC(=O)CCP(O)(O)=O
Show InChI InChI=1S/C3H8NO5P/c5-3(4-6)1-2-10(7,8)9/h6H,1-2H2,(H,4,5)(H2,7,8,9)
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 1.59E+5n/an/an/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against rabbit muscle triose-phosphate isomerase

Bioorg Med Chem Lett 15: 2906-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.061
BindingDB Entry DOI: 10.7270/Q25M6589
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))		BDBM50167776
PNG
((2-Hydroxycarbamoyl-ethyl)-phosphonic acid | 3-(hy...)
Show SMILES ONC(=O)CCP(O)(O)=O
Show InChI InChI=1S/C3H8NO5P/c5-3(4-6)1-2-10(7,8)9/h6H,1-2H2,(H,4,5)(H2,7,8,9)
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 1.60E+5n/an/an/an/an/an/an/an/a



UMR 8182

Curated by ChEMBL


Assay Description
Inhibition of triosephosphate isomerase

Bioorg Med Chem Lett 17: 410-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.030
BindingDB Entry DOI: 10.7270/Q2639QK7
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))		BDBM50198029
PNG
(CHEMBL390655 | hydrogen [1-azaniumyl-2-(hydroxycar...)
Show SMILES [NH3+]C(CC(=O)NO)P(O)([O-])=O
Show InChI InChI=1S/C3H9N2O5P/c4-2(11(8,9)10)1-3(6)5-7/h2,7H,1,4H2,(H,5,6)(H2,8,9,10)
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>5.00E+5n/an/an/an/an/an/an/an/a



UMR 8182

Curated by ChEMBL


Assay Description
Inhibition of triosephosphate isomerase

Bioorg Med Chem Lett 17: 410-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.030
BindingDB Entry DOI: 10.7270/Q2639QK7
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))		BDBM50198028
PNG
(hydrogen 1-hydroxy-3-(hydroxyamino)-3-oxopropylpho...)
Show SMILES ONC(=O)CC(=O)P(O)(O)[O-]
Show InChI InChI=1S/C3H7NO6P/c5-2(4-7)1-3(6)11(8,9)10/h7-9,11H,1H2,(H,4,5)/q-1
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>1.00E+6n/an/an/an/an/an/an/an/a



UMR 8182

Curated by ChEMBL


Assay Description
Inhibition of triosephosphate isomerase

Bioorg Med Chem Lett 17: 410-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.030
BindingDB Entry DOI: 10.7270/Q2639QK7
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50597993
PNG
(ANETHOLTRITHION | Anethole Trithione | Anethole tr...)
Show SMILES COc1ccc(cc1)-c1cc(=S)ss1
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116577
BindingDB Entry DOI: 10.7270/Q2J67MZ9
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50597988
PNG
(CHEMBL5192352)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)CSc2nc3ccccc3[nH]2)s1
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116577
BindingDB Entry DOI: 10.7270/Q2J67MZ9
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50597987
PNG
(CHEMBL5170853)
Show SMILES O=C(\C=C\C=C\c1ccco1)/C=C/C=C/c1ccco1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116577
BindingDB Entry DOI: 10.7270/Q2J67MZ9
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50332795
PNG
(3-(4-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-thiadia...)
Show SMILES Cc1ccc(cc1)-c1nc(=O)s[nH]1
Show InChI InChI=1S/C9H8N2OS/c1-6-2-4-7(5-3-6)8-10-9(12)13-11-8/h2-5H,1H3,(H,10,11,12)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi triosephosphate isomerase after 2 hrs

Eur J Med Chem 45: 5767-72 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.034
BindingDB Entry DOI: 10.7270/Q2QN6719
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50332795
PNG
(3-(4-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-thiadia...)
Show SMILES Cc1ccc(cc1)-c1nc(=O)s[nH]1
Show InChI InChI=1S/C9H8N2OS/c1-6-2-4-7(5-3-6)8-10-9(12)13-11-8/h2-5H,1H3,(H,10,11,12)
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n/an/a 3.50E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116577
BindingDB Entry DOI: 10.7270/Q2J67MZ9
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50597990
PNG
(CHEMBL3990589)
Show SMILES Cc1ccc2nc(sc2c1S(O)(=O)=O)-c1ccc2nc(sc2c1)-c1ccc(N)cc1
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n/an/a 8.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116577
BindingDB Entry DOI: 10.7270/Q2J67MZ9
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50332796
PNG
(5-phenyl-1,3,4-oxathiazol-2-one | CHEMBL1632533)
Show SMILES O=c1oc(ns1)-c1ccccc1
Show InChI InChI=1S/C8H5NO2S/c10-8-11-7(9-12-8)6-4-2-1-3-5-6/h1-5H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi triosephosphate isomerase after 2 hrs

Eur J Med Chem 45: 5767-72 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.034
BindingDB Entry DOI: 10.7270/Q2QN6719
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50597994
PNG
(CHEMBL5172018)
Show SMILES [I-].COc1ccc(cc1)-c1c\c(ss1)=[S+]\CC(C)=O
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n/an/a 1.10E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmc.2021.116577
BindingDB Entry DOI: 10.7270/Q2J67MZ9
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50332793
PNG
(2,6-Dibenzyl-4-(5-nitro-furan-2-ylm ethylene)-1,1-...)
Show SMILES [#8-]-[#7+](=O)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)S(=O)(=O)[#7](-[#6]-c3ccccc3)-[#6]-2=O)o1
Show InChI InChI=1S/C22H17N3O7S/c26-21-19(13-18-11-12-20(32-18)25(28)29)22(27)24(15-17-9-5-2-6-10-17)33(30,31)23(21)14-16-7-3-1-4-8-16/h1-13H,14-15H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi triosephosphate isomerase after 2 hrs

Eur J Med Chem 45: 5767-72 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.034
BindingDB Entry DOI: 10.7270/Q2QN6719
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50597991
PNG
(CHEMBL5198783)
Show SMILES [#8-]-[#7+](=O)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6]-c3ccccc3)S(=O)(=O)[#7](-[#6]-c3ccccc3)-[#6]-2=O)o1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116577
BindingDB Entry DOI: 10.7270/Q2J67MZ9
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50332792
PNG
(4-(5-Nitro-furan-2-ylmethylene)-1,1-dioxo-1,4-dihy...)
Show SMILES NC1=NS(=O)(=O)NC(=N)C1=Cc1ccc(o1)[N+]([O-])=O |w:10.11,t:1|
Show InChI InChI=1S/C8H7N5O5S/c9-7-5(8(10)12-19(16,17)11-7)3-4-1-2-6(18-4)13(14)15/h1-3H,(H2,9,11)(H2,10,12)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi triosephosphate isomerase after 2 hrs

Eur J Med Chem 45: 5767-72 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.034
BindingDB Entry DOI: 10.7270/Q2QN6719
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50332794
PNG
(2,3-dichloro-7-hydroxyphenazine5,10-dioxide | 7,8-...)
Show SMILES Oc1ccc2[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]([O-])c2c1
Show InChI InChI=1S/C12H6Cl2N2O3/c13-7-4-11-12(5-8(7)14)16(19)10-3-6(17)1-2-9(10)15(11)18/h1-5,17H
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n/an/a 2.60E+4n/an/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi triosephosphate isomerase after 2 hrs

Eur J Med Chem 45: 5767-72 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.034
BindingDB Entry DOI: 10.7270/Q2QN6719
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50597992
PNG
(CHEMBL5169735)
Show SMILES Oc1ccc2[NH+]([O-])c3cc(Cl)c(Cl)cc3[NH+]([O-])c2c1
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n/an/a 2.60E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116577
BindingDB Entry DOI: 10.7270/Q2J67MZ9
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50597989
PNG
(CHEMBL1161789)
Show SMILES OS(=O)(=O)CCCSc1nc2ccccc2s1
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n/an/a 3.30E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116577
BindingDB Entry DOI: 10.7270/Q2J67MZ9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Triosephosphate isomerase, glycosomal


(Trypanosoma brucei)		BDBM246598
PNG
(TIM inhibitor, 3)
Show SMILES [#8-]-[#7+](=O)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6]-c3ccccc3)-[#16]-[#7](-[#6]-c3ccccc3)-[#6]-2=O)o1
Show InChI InChI=1S/C22H17N3O5S/c26-21-19(13-18-11-12-20(30-18)25(28)29)22(27)24(15-17-9-5-2-6-10-17)31-23(21)14-16-7-3-1-4-8-16/h1-13H,14-15H2
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n/an/a 3.40E+4n/an/an/an/a7.437



Universidad de la República



Assay Description
The reaction mixture (1 mL, pH 7.4) contained 100mM triethanolamine, 10mM EDTA, 0.2mM NADH, 1mM glyceraldehyde 3-phosphate (GAP) and 0.9 units of a-g...

J Enzyme Inhib Med Chem 29: 198-204 (2014)


Article DOI: 10.3109/14756366.2013.765415
BindingDB Entry DOI: 10.7270/Q27S7MPS
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50534545
PNG
(CHEMBL4576576)
Show SMILES COC(=O)c1cc2nc(SCC(=O)Nc3ncc(s3)[N+]([O-])=O)[nH]c2cc1Cl
Show InChI InChI=1S/C14H10ClN5O5S2/c1-25-12(22)6-2-8-9(3-7(6)15)18-14(17-8)26-5-10(21)19-13-16-4-11(27-13)20(23)24/h2-4H,5H2,1H3,(H,17,18)(H,16,19,21)
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n/an/a 7.70E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi triosephosphate isomerase assessed as reduction of DHAP after 2 hrs by measuring NADH consumption by alph...

Bioorg Med Chem Lett 26: 4377-81 (2016)


Article DOI: 10.1016/j.bmcl.2015.08.018
BindingDB Entry DOI: 10.7270/Q2R78JQX
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50534546
PNG
(CHEMBL4462472)
Show SMILES COC(=O)c1cc2nc(SCC(=O)Nc3cnccn3)[nH]c2cc1Cl
Show InChI InChI=1S/C15H12ClN5O3S/c1-24-14(23)8-4-10-11(5-9(8)16)20-15(19-10)25-7-13(22)21-12-6-17-2-3-18-12/h2-6H,7H2,1H3,(H,19,20)(H,18,21,22)
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n/an/a 8.20E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi triosephosphate isomerase assessed as reduction of DHAP after 2 hrs by measuring NADH consumption by alph...

Bioorg Med Chem Lett 26: 4377-81 (2016)


Article DOI: 10.1016/j.bmcl.2015.08.018
BindingDB Entry DOI: 10.7270/Q2R78JQX
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))		BDBM246596
PNG
(TIM inhibitor, 1)
Show SMILES Cc1ccc(cc1)-c1nsc(=O)[nH]1
Show InChI InChI=1S/C9H8N2OS/c1-6-2-4-7(5-3-6)8-10-9(12)13-11-8/h2-5H,1H3,(H,10,11,12)
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antibodypedia
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n/an/a 1.00E+5n/an/an/an/a7.437



Universidad de la República



Assay Description
The reaction mixture (1 mL, pH 7.4) contained 100mM triethanolamine, 10mM EDTA, 0.2mM NADH, 1mM glyceraldehyde 3-phosphate (GAP) and 0.9 units of a-g...

J Enzyme Inhib Med Chem 29: 198-204 (2014)


Article DOI: 10.3109/14756366.2013.765415
BindingDB Entry DOI: 10.7270/Q27S7MPS
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))		BDBM246598
PNG
(TIM inhibitor, 3)
Show SMILES [#8-]-[#7+](=O)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6]-c3ccccc3)-[#16]-[#7](-[#6]-c3ccccc3)-[#6]-2=O)o1
Show InChI InChI=1S/C22H17N3O5S/c26-21-19(13-18-11-12-20(30-18)25(28)29)22(27)24(15-17-9-5-2-6-10-17)31-23(21)14-16-7-3-1-4-8-16/h1-13H,14-15H2
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n/an/a>1.00E+5n/an/an/an/a7.437



Universidad de la República



Assay Description
The reaction mixture (1 mL, pH 7.4) contained 100mM triethanolamine, 10mM EDTA, 0.2mM NADH, 1mM glyceraldehyde 3-phosphate (GAP) and 0.9 units of a-g...

J Enzyme Inhib Med Chem 29: 198-204 (2014)


Article DOI: 10.3109/14756366.2013.765415
BindingDB Entry DOI: 10.7270/Q27S7MPS
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))		BDBM246597
PNG
(TIM inhibitor, 2)
Show SMILES Oc1ccc2nc3cc(Cl)c(Cl)cc3nc2c1
Show InChI InChI=1S/C12H6Cl2N2O/c13-7-4-11-12(5-8(7)14)16-10-3-6(17)1-2-9(10)15-11/h1-5,17H
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n/an/a>1.00E+5n/an/an/an/a7.437



Universidad de la República



Assay Description
The reaction mixture (1 mL, pH 7.4) contained 100mM triethanolamine, 10mM EDTA, 0.2mM NADH, 1mM glyceraldehyde 3-phosphate (GAP) and 0.9 units of a-g...

J Enzyme Inhib Med Chem 29: 198-204 (2014)


Article DOI: 10.3109/14756366.2013.765415
BindingDB Entry DOI: 10.7270/Q27S7MPS
More data for this
Ligand-Target Pair
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)		BDBM50534547
PNG
(CHEMBL4443832)
Show SMILES COC(=O)c1cc2nc(SCC(=O)Nc3nccs3)[nH]c2cc1Cl
Show InChI InChI=1S/C14H11ClN4O3S2/c1-22-12(21)7-4-9-10(5-8(7)15)18-14(17-9)24-6-11(20)19-13-16-2-3-23-13/h2-5H,6H2,1H3,(H,17,18)(H,16,19,20)
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n/an/a 2.23E+5n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi triosephosphate isomerase assessed as reduction of DHAP after 2 hrs by measuring NADH consumption by alph...

Bioorg Med Chem Lett 26: 4377-81 (2016)


Article DOI: 10.1016/j.bmcl.2015.08.018
BindingDB Entry DOI: 10.7270/Q2R78JQX
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Oryctolagus cuniculus)		BDBM50167773
PNG
(CHEMBL196558 | [2-(N-Hydroxycarbamimidoyl)-ethyl]-...)
Show SMILES ONC(=N)CCP(O)(O)=O
Show InChI InChI=1S/C3H9N2O4P/c4-3(5-6)1-2-10(7,8)9/h6H,1-2H2,(H2,4,5)(H2,7,8,9)
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n/an/a 9.60E+6n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit muscle triose-phosphate isomerase

Bioorg Med Chem Lett 15: 2906-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.061
BindingDB Entry DOI: 10.7270/Q25M6589
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Oryctolagus cuniculus)		BDBM50167774
PNG
((2-Hydrazinocarbonyl-ethyl)-phosphonic acid | CHEM...)
Show SMILES NNC(=O)CCP(O)(O)=O
Show InChI InChI=1S/C3H9N2O4P/c4-5-3(6)1-2-10(7,8)9/h1-2,4H2,(H,5,6)(H2,7,8,9)
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n/an/a 2.70E+7n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit muscle triose-phosphate isomerase

Bioorg Med Chem Lett 15: 2906-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.061
BindingDB Entry DOI: 10.7270/Q25M6589
More data for this
Ligand-Target Pair