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PubMed code 16610809

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50153713
PNG
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)
Show SMILES ON(CCCP(O)(O)=O)C=O
Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
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Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


J Med Chem 49: 2656-60 (2006)


Article DOI: 10.1021/jm051177c
BindingDB Entry DOI: 10.7270/Q22F7N24
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50185361
PNG
((1R,2S)-2-[N-(acetyl),N-(hydroxy)aminomethyl]-cycl...)
Show SMILES CC(=O)N(O)C[C@@H]1C[C@H]1P(O)(O)=O
Show InChI InChI=1S/C6H12NO5P/c1-4(8)7(9)3-5-2-6(5)13(10,11)12/h5-6,9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m0/s1
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


J Med Chem 49: 2656-60 (2006)


Article DOI: 10.1021/jm051177c
BindingDB Entry DOI: 10.7270/Q22F7N24
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50181153
PNG
(3-(N-hydroxyacetamido)propylphosphonic acid | 3-(N...)
Show SMILES CC(=O)N(O)CCCP(O)(O)=O
Show InChI InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)
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Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


J Med Chem 49: 2656-60 (2006)


Article DOI: 10.1021/jm051177c
BindingDB Entry DOI: 10.7270/Q22F7N24
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50185359
PNG
(2-[N-(acetyl),N-(hydroxy)aminomethyl]-cyclopropylp...)
Show SMILES CC(=O)N(O)CC1CC1P(O)(O)=O
Show InChI InChI=1S/C6H12NO5P/c1-4(8)7(9)3-5-2-6(5)13(10,11)12/h5-6,9H,2-3H2,1H3,(H2,10,11,12)
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Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


J Med Chem 49: 2656-60 (2006)


Article DOI: 10.1021/jm051177c
BindingDB Entry DOI: 10.7270/Q22F7N24
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50185363
PNG
((1R,2S)-2-[N-(formyl),N-(hydroxy)aminomethyl]-cycl...)
Show SMILES ON(C[C@@H]1C[C@H]1P(O)(O)=O)C=O
Show InChI InChI=1S/C5H10NO5P/c7-3-6(8)2-4-1-5(4)12(9,10)11/h3-5,8H,1-2H2,(H2,9,10,11)/t4-,5+/m0/s1
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KEGG

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PC cid
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Article
PubMed
n/an/a 313n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


J Med Chem 49: 2656-60 (2006)


Article DOI: 10.1021/jm051177c
BindingDB Entry DOI: 10.7270/Q22F7N24
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50185362
PNG
((1R,2S)-2-[N-(hydroxy),N-(propionyl)aminomethyl]-c...)
Show SMILES CCC(=O)N(O)C[C@@H]1C[C@H]1P(O)(O)=O
Show InChI InChI=1S/C7H14NO5P/c1-2-7(9)8(10)4-5-3-6(5)14(11,12)13/h5-6,10H,2-4H2,1H3,(H2,11,12,13)/t5-,6+/m0/s1
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KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


J Med Chem 49: 2656-60 (2006)


Article DOI: 10.1021/jm051177c
BindingDB Entry DOI: 10.7270/Q22F7N24
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50185360
PNG
(2-[N-(acetyl),N-(hydroxy)aminomethyl]-1-phenylcycl...)
Show SMILES CC(=O)N(O)CC1CC1(c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C12H16NO5P/c1-9(14)13(15)8-11-7-12(11,19(16,17)18)10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3,(H2,16,17,18)
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KEGG

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GoogleScholar
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PC cid
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UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


J Med Chem 49: 2656-60 (2006)


Article DOI: 10.1021/jm051177c
BindingDB Entry DOI: 10.7270/Q22F7N24
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%