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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50148779   
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
6-phosphogluconate dehydrogenase, decarboxylating


(Homo sapiens (Human))
BDBM50148779
PNG
(Acetic acid (1R,2R)-2-acetoxy-1-(acetyl-benzyloxy-...)
Show SMILES CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)[C@@H](OC(C)=O)C(=O)N(OCc1ccccc1)C(C)=O
Show InChI InChI=1S/C31H34NO11P/c1-23(33)32(38-19-26-13-7-4-8-14-26)31(36)30(43-25(3)35)29(42-24(2)34)22-41-44(37,39-20-27-15-9-5-10-16-27)40-21-28-17-11-6-12-18-28/h4-18,29-30H,19-22H2,1-3H3/t29-,30-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
1.09E+5n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli


J Med Chem 47: 3427-37 (2004)


Article DOI: 10.1021/jm031066i
BindingDB Entry DOI: 10.7270/Q2S1837H
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating


(Homo sapiens (Human))
BDBM50148779
PNG
(Acetic acid (1R,2R)-2-acetoxy-1-(acetyl-benzyloxy-...)
Show SMILES CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)[C@@H](OC(C)=O)C(=O)N(OCc1ccccc1)C(C)=O
Show InChI InChI=1S/C31H34NO11P/c1-23(33)32(38-19-26-13-7-4-8-14-26)31(36)30(43-25(3)35)29(42-24(2)34)22-41-44(37,39-20-27-15-9-5-10-16-27)40-21-28-17-11-6-12-18-28/h4-18,29-30H,19-22H2,1-3H3/t29-,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.92E+5n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver


J Med Chem 47: 3427-37 (2004)


Article DOI: 10.1021/jm031066i
BindingDB Entry DOI: 10.7270/Q2S1837H
More data for this
Ligand-Target Pair