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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'nieto-meneses' and Initial = 'r'   
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)
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)
PDB
MMDB

UniProtKB/SwissProt

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

UniProtKB/SwissProt

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

UniProtKB/SwissProt

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