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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Glyceraldehyde-3-phosphate dehydrogenase, glycosomal' and Ligand = 'BDBM50345793'   
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
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)
BDBM50345793
PNG
(2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...)
Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for bina...


Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)
BDBM50345793
PNG
(2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...)
Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for bina...


Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)
BDBM50345793
PNG
(2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...)
Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.80E+4n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for tern...


Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)
BDBM50345793
PNG
(2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...)
Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.30E+4n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for tern...


Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)
BDBM50345793
PNG
(2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...)
Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate


Bioorg Med Chem 16: 8889-95 (2008)


Article DOI: 10.1016/j.bmc.2008.08.057
BindingDB Entry DOI: 10.7270/Q2474B6M
More data for this
Ligand-Target Pair