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PubMed code 17698620

Compile data set for download or QSAR
Found 15 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
Histidinol dehydrogenase


(Brucella suis)
BDBM50267344
PNG
((S)-3-amino-1-(4-(benzyloxy)phenyl)-4-(1H-imidazol...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C20H21N3O2/c21-19(11-17-12-22-14-23-17)20(24)10-15-6-8-18(9-7-15)25-13-16-4-2-1-3-5-16/h1-9,12,14,19H,10-11,13,21H2,(H,22,23)/t19-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267974
PNG
((S)-3-Amino-1-(4-chloro-phenyl)-4-(1H-imidazol-4-y...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H14ClN3O/c14-10-3-1-9(2-4-10)5-13(18)12(15)6-11-7-16-8-17-11/h1-4,7-8,12H,5-6,15H2,(H,16,17)/t12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267345
PNG
((S)-3-amino-1-(2,4-difluorophenyl)-4-(1H-imidazol-...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(F)cc1F |r|
Show InChI InChI=1S/C13H13F2N3O/c14-9-2-1-8(11(15)4-9)3-13(19)12(16)5-10-6-17-7-18-10/h1-2,4,6-7,12H,3,5,16H2,(H,17,18)/t12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267975
PNG
((S)-3-Amino-1-(4-bromo-phenyl)-4-(1H-imidazol-4-yl...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C13H14BrN3O/c14-10-3-1-9(2-4-10)5-13(18)12(15)6-11-7-16-8-17-11/h1-4,7-8,12H,5-6,15H2,(H,16,17)/t12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267468
PNG
((S)-3-amino-4-(1H-imidazol-4-yl)-1-(naphthalen-2-y...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C17H17N3O/c18-16(9-15-10-19-11-20-15)17(21)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,10-11,16H,8-9,18H2,(H,19,20)/t16-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267341
PNG
((S)-3-amino-4-(1H-imidazol-4-yl)-1-p-tolylbutan-2-...)
Show SMILES Cc1ccc(CC(=O)[C@@H](N)Cc2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C14H17N3O/c1-10-2-4-11(5-3-10)6-14(18)13(15)7-12-8-16-9-17-12/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,17)/t13-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267973
PNG
((S)-3-amino-1-(4-fluorophenyl)-4-(1H-imidazol-4-yl...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C13H14FN3O/c14-10-3-1-9(2-4-10)5-13(18)12(15)6-11-7-16-8-17-11/h1-4,7-8,12H,5-6,15H2,(H,16,17)/t12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267469
PNG
((S)-3-amino-1-(benzo[d][1,3]dioxol-5-yl)-4-(1H-imi...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C14H15N3O3/c15-11(5-10-6-16-7-17-10)12(18)3-9-1-2-13-14(4-9)20-8-19-13/h1-2,4,6-7,11H,3,5,8,15H2,(H,16,17)/t11-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267342
PNG
((S)-3-Amino-4-(1H-imidazol-4-yl)-1-(4-methoxy-phen...)
Show SMILES COc1ccc(CC(=O)[C@@H](N)Cc2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C14H17N3O2/c1-19-12-4-2-10(3-5-12)6-14(18)13(15)7-11-8-16-9-17-11/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,17)/t13-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267976
PNG
((S)-3-Amino-1-biphenyl-4-yl-4-(1H-imidazol-4-yl)-b...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H19N3O/c20-18(11-17-12-21-13-22-17)19(23)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,20H2,(H,21,22)/t18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267467
PNG
((S)-3-amino-4-(1H-imidazol-4-yl)-1-(naphthalen-1-y...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C17H17N3O/c18-16(9-14-10-19-11-20-14)17(21)8-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,10-11,16H,8-9,18H2,(H,19,20)/t16-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267346
PNG
((S)-3-amino-1-(3,4-dichlorophenyl)-4-(1H-imidazol-...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C13H13Cl2N3O/c14-10-2-1-8(3-11(10)15)4-13(19)12(16)5-9-6-17-7-18-9/h1-3,6-7,12H,4-5,16H2,(H,17,18)/t12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267343
PNG
((S)-3-amino-4-(1H-imidazol-4-yl)-1-(4-phenoxypheny...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H19N3O2/c20-18(11-15-12-21-13-22-15)19(23)10-14-6-8-17(9-7-14)24-16-4-2-1-3-5-16/h1-9,12-13,18H,10-11,20H2,(H,21,22)/t18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267371
PNG
((S)-3-amino-4-(1H-imidazol-4-yl)-1-(perfluoropheny...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1c(F)c(F)c(F)c(F)c1F |r|
Show InChI InChI=1S/C13H10F5N3O/c14-9-6(10(15)12(17)13(18)11(9)16)2-8(22)7(19)1-5-3-20-4-21-5/h3-4,7H,1-2,19H2,(H,20,21)/t7-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
Histidinol dehydrogenase


(Brucella suis)
BDBM50267972
PNG
((S)-3-Amino-4-(1H-imidazol-4-yl)-1-phenyl-butan-2-...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C13H15N3O/c14-12(7-11-8-15-9-16-11)13(17)6-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,14H2,(H,15,16)/t12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of Brucella suis histidinol dehydrogenase


Antimicrob Agents Chemother 51: 3752-5 (2007)


Article DOI: 10.1128/AAC.00572-07
BindingDB Entry DOI: 10.7270/Q24T6J58
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%