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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50100479   
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, cytosolic


(Leishmania mexicana)
BDBM50100479
PNG
(CHEMBL303751 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O7/c1-41-20-9-17(10-21(11-20)42-2)29(40)35-24-26(39)23(13-37)43-30(24)36-15-34-25-27(32-14-33-28(25)36)31-12-18-8-19(38)7-16-5-3-4-6-22(16)18/h3-11,14-15,23-24,26,30,37-39H,12-13H2,1-2H3,(H,35,40)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)


BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Homo sapiens (Human))
BDBM50100479
PNG
(CHEMBL303751 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O7/c1-41-20-9-17(10-21(11-20)42-2)29(40)35-24-26(39)23(13-37)43-30(24)36-15-34-25-27(32-14-33-28(25)36)31-12-18-8-19(38)7-16-5-3-4-6-22(16)18/h3-11,14-15,23-24,26,30,37-39H,12-13H2,1-2H3,(H,35,40)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma brucei GAPDH.


J Med Chem 44: 2080-93 (2001)


BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Homo sapiens (Human))
BDBM50100479
PNG
(CHEMBL303751 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O7/c1-41-20-9-17(10-21(11-20)42-2)29(40)35-24-26(39)23(13-37)43-30(24)36-15-34-25-27(32-14-33-28(25)36)31-12-18-8-19(38)7-16-5-3-4-6-22(16)18/h3-11,14-15,23-24,26,30,37-39H,12-13H2,1-2H3,(H,35,40)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of Trypanosoma cruzi GAPDH.


J Med Chem 44: 2080-93 (2001)


BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Homo sapiens (Human))
BDBM50100479
PNG
(CHEMBL303751 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O7/c1-41-20-9-17(10-21(11-20)42-2)29(40)35-24-26(39)23(13-37)43-30(24)36-15-34-25-27(32-14-33-28(25)36)31-12-18-8-19(38)7-16-5-3-4-6-22(16)18/h3-11,14-15,23-24,26,30,37-39H,12-13H2,1-2H3,(H,35,40)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit muscle GAPDH.


J Med Chem 44: 2080-93 (2001)


BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair