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Articleid 50029775

Compile data set for download or QSAR
Found 16 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, chloroplastic


(Brassica oleracea var. capitata)		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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 2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		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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 4.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		BDBM50287735
PNG
((S)-3-Amino-1-(3-amino-phenyl)-4-(1H-imidazol-4-yl...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1cccc(N)c1 |r|
Show InChI InChI=1S/C13H16N4O/c14-10-3-1-2-9(4-10)5-13(18)12(15)6-11-7-16-8-17-11/h1-4,7-8,12H,5-6,14-15H2,(H,16,17)/t12-/m0/s1
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 7.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		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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 7.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		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 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		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 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		BDBM50287739
PNG
((S)-3-Amino-1-(3,4-dibromo-phenyl)-4-(1H-imidazol-...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(Br)c(Br)c1 |r|
Show InChI InChI=1S/C13H13Br2N3O/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 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		BDBM50287735
PNG
((S)-3-Amino-1-(3-amino-phenyl)-4-(1H-imidazol-4-yl...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1cccc(N)c1 |r|
Show InChI InChI=1S/C13H16N4O/c14-10-3-1-2-9(4-10)5-13(18)12(15)6-11-7-16-8-17-11/h1-4,7-8,12H,5-6,14-15H2,(H,16,17)/t12-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		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 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		BDBM50287738
PNG
((S)-3-Amino-1-(3-bromo-phenyl)-4-(1H-imidazol-4-yl...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1cccc(Br)c1 |r|
Show InChI InChI=1S/C13H14BrN3O/c14-10-3-1-2-9(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 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		BDBM50287741
PNG
((S)-3-Amino-1-(3-hydroxy-phenyl)-4-(1H-imidazol-4-...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1cccc(O)c1 |r|
Show InChI InChI=1S/C13H15N3O2/c14-12(6-10-7-15-8-16-10)13(18)5-9-2-1-3-11(17)4-9/h1-4,7-8,12,17H,5-6,14H2,(H,15,16)/t12-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		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 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		BDBM50287737
PNG
((S)-3-Amino-1-(4-amino-phenyl)-4-(1H-imidazol-4-yl...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(N)cc1 |r|
Show InChI InChI=1S/C13H16N4O/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,5-6,14-15H2,(H,16,17)/t12-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		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 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		BDBM50287736
PNG
((S)-3-Amino-1-(2-bromo-phenyl)-4-(1H-imidazol-4-yl...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccccc1Br |r|
Show InChI InChI=1S/C13H14BrN3O/c14-11-4-2-1-3-9(11)5-13(18)12(15)6-10-7-16-8-17-10/h1-4,7-8,12H,5-6,15H2,(H,16,17)/t12-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
Histidinol dehydrogenase, chloroplastic


(Brassica oleracea var. capitata)		BDBM50287740
PNG
((S)-3-Amino-1-(3-amino-4-bromo-phenyl)-4-(1H-imida...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(Br)c(N)c1 |r|
Show InChI InChI=1S/C13H15BrN4O/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,4-5,15-16H2,(H,17,18)/t12-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry

Bioorg Med Chem Lett 6: 2131-2136 (1996)


Article DOI: 10.1016/0960-894X(96)00384-8
BindingDB Entry DOI: 10.7270/Q2D79BC7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%