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PubMed code 20889239

Compile data set for download or QSAR
Found 5 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
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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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)
BDBM50332793
PNG
(2,6-Dibenzyl-4-(5-nitro-furan-2-ylm ethylene)-1,1-...)
Show SMILES [O-][N+](=O)c1ccc(C=C2C(=O)N(Cc3ccccc3)S(=O)(=O)N(Cc3ccccc3)C2=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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
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
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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
* indicates data uncertainty>20%