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2 similar compounds to monomer 50153711

Compile data set for download or QSAR
Wt: 231.0
BDBM50148767
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Wt: 215.0
BDBM50148769

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50148767,50148769   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
6-phosphogluconate dehydrogenase, decarboxylating, putative


(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
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10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
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10n/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 (6PGD)


(Homo sapiens (Human))
BDBM50148769
PNG
((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...)
Show SMILES NC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1
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1.52E+3n/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, putative


(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
BDBM50148769
PNG
((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...)
Show SMILES NC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1
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1.52E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
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Article
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2.54E+3n/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
6-phosphogluconate dehydrogenase, decarboxylating


(Ovis aries)
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
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2.54E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of sheep 6PGDH expressed in Escherichia coli by spectroscopy


Bioorg Med Chem 18: 5056-62 (2010)


Article DOI: 10.1016/j.bmc.2010.05.077
BindingDB Entry DOI: 10.7270/Q2X34ZDH
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50148769
PNG
((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...)
Show SMILES NC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1
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3.92E+4n/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
Ribose-5-phosphate isomerase B


(Mycobacterium tuberculosis)
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
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5.70E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis rpiB


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribose-5-phosphate isomerase B


(Mycobacterium tuberculosis)
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
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5.70E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis rpiB


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribose-5-phosphate isomerase B


(Mycobacterium tuberculosis)
BDBM50148769
PNG
((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...)
Show SMILES NC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1
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>3.00E+7n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis rpiB


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
Arabinose phosphate isomerase


(Francisella tularensis subsp. tularensis)
BDBM50148769
PNG
((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...)
Show SMILES NC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Francisella tularensis N-terminal hexahistidine-tagged arabinose phosphate isomerase expressed in Escherichia coli BL21(DE3) after 3 hr...


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
Arabinose phosphate isomerase


(Francisella tularensis subsp. tularensis)
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Francisella tularensis N-terminal hexahistidine-tagged arabinose phosphate isomerase expressed in Escherichia coli BL21(DE3) after 3 hr...


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair