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Compile Data Set for Download or QSAR

Found 24 hits of ki for UniProtKB: P00480   
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
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079023
PNG
(2-Amino-5-(2-phosphono-acetylamino)-pentanoic acid)
Show SMILES [NH3+][C@@H](CCCNC(=O)CP(O)([O-])=O)C([O-])=O
Show InChI InChI=1S/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)/p-1/t5-/m0/s1
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100n/an/an/an/an/an/a7.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079023
PNG
(2-Amino-5-(2-phosphono-acetylamino)-pentanoic acid)
Show SMILES [NH3+][C@@H](CCCNC(=O)CP(O)([O-])=O)C([O-])=O
Show InChI InChI=1S/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)/p-1/t5-/m0/s1
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130n/an/an/an/an/an/a6.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM maleate, 0.5 m...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079023
PNG
(2-Amino-5-(2-phosphono-acetylamino)-pentanoic acid)
Show SMILES [NH3+][C@@H](CCCNC(=O)CP(O)([O-])=O)C([O-])=O
Show InChI InChI=1S/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)/p-1/t5-/m0/s1
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200n/an/an/an/an/an/a8.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079020
PNG
((Aminomethyl-hydroxy-phosphinoylmethyl)-phosphonic...)
Show SMILES [NH3+]CP([O-])(=O)CP(O)([O-])=O
Show InChI InChI=1S/C2H9NO5P2/c3-1-9(4,5)2-10(6,7)8/h1-3H2,(H,4,5)(H2,6,7,8)/p-1
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4.40E+4n/an/an/an/an/an/a6.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM maleate, 0.5 m...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079022
PNG
(HP2O7(3-) | diphosphate | diphosphate(3-) | hydrog...)
Show SMILES OP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
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2.40E+5n/an/an/an/an/an/a6.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM maleate, 0.5 m...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079020
PNG
((Aminomethyl-hydroxy-phosphinoylmethyl)-phosphonic...)
Show SMILES [NH3+]CP([O-])(=O)CP(O)([O-])=O
Show InChI InChI=1S/C2H9NO5P2/c3-1-9(4,5)2-10(6,7)8/h1-3H2,(H,4,5)(H2,6,7,8)/p-1
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2.65E+5n/an/an/an/an/an/a7.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079019
PNG
(2-Amino-5-[(hydroxy-phosphonomethyl-phosphinoylmet...)
Show SMILES [NH3+][C@@H](CCC[NH2+]CP([O-])(=O)CP(O)([O-])=O)C([O-])=O
Show InChI InChI=1S/C7H18N2O7P2/c8-6(7(10)11)2-1-3-9-4-17(12,13)5-18(14,15)16/h6,9H,1-5,8H2,(H,10,11)(H,12,13)(H2,14,15,16)/p-1/t6-/m0/s1
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6.60E+5n/an/an/an/an/an/a6.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM maleate, 0.5 m...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079019
PNG
(2-Amino-5-[(hydroxy-phosphonomethyl-phosphinoylmet...)
Show SMILES [NH3+][C@@H](CCC[NH2+]CP([O-])(=O)CP(O)([O-])=O)C([O-])=O
Show InChI InChI=1S/C7H18N2O7P2/c8-6(7(10)11)2-1-3-9-4-17(12,13)5-18(14,15)16/h6,9H,1-5,8H2,(H,10,11)(H,12,13)(H2,14,15,16)/p-1/t6-/m0/s1
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7.50E+5n/an/an/an/an/an/a7.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079020
PNG
((Aminomethyl-hydroxy-phosphinoylmethyl)-phosphonic...)
Show SMILES [NH3+]CP([O-])(=O)CP(O)([O-])=O
Show InChI InChI=1S/C2H9NO5P2/c3-1-9(4,5)2-10(6,7)8/h1-3H2,(H,4,5)(H2,6,7,8)/p-1
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8.00E+5n/an/an/an/an/an/a8.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079022
PNG
(HP2O7(3-) | diphosphate | diphosphate(3-) | hydrog...)
Show SMILES OP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
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8.90E+5n/an/an/an/an/an/a7.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079021
PNG
((2S)-2-[(tert-butoxycarbonyl)amino]-5-[({[(hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC[NH2+]CP([O-])(=O)CP(O)([O-])=O)C([O-])=O
Show InChI InChI=1S/C12H26N2O9P2/c1-12(2,3)23-11(17)14-9(10(15)16)5-4-6-13-7-24(18,19)8-25(20,21)22/h9,13H,4-8H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)(H2,20,21,22)/p-2/t9-/m0/s1
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1.00E+6n/an/an/an/an/an/a7.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079019
PNG
(2-Amino-5-[(hydroxy-phosphonomethyl-phosphinoylmet...)
Show SMILES [NH3+][C@@H](CCC[NH2+]CP([O-])(=O)CP(O)([O-])=O)C([O-])=O
Show InChI InChI=1S/C7H18N2O7P2/c8-6(7(10)11)2-1-3-9-4-17(12,13)5-18(14,15)16/h6,9H,1-5,8H2,(H,10,11)(H,12,13)(H2,14,15,16)/p-1/t6-/m0/s1
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1.90E+6n/an/an/an/an/an/a8.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079022
PNG
(HP2O7(3-) | diphosphate | diphosphate(3-) | hydrog...)
Show SMILES OP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
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2.00E+6n/an/an/an/an/an/a8.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079021
PNG
((2S)-2-[(tert-butoxycarbonyl)amino]-5-[({[(hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC[NH2+]CP([O-])(=O)CP(O)([O-])=O)C([O-])=O
Show InChI InChI=1S/C12H26N2O9P2/c1-12(2,3)23-11(17)14-9(10(15)16)5-4-6-13-7-24(18,19)8-25(20,21)22/h9,13H,4-8H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)(H2,20,21,22)/p-2/t9-/m0/s1
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2.00E+6n/an/an/an/an/an/a8.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079025
PNG
((2S)-2-ammonio-4-[({[(hydroxyphosphinato)methyl]ph...)
Show SMILES [NH3+][C@@H](CC[NH2+]CP([O-])(=O)CP(O)([O-])=O)C([O-])=O
Show InChI InChI=1S/C6H16N2O7P2/c7-5(6(9)10)1-2-8-3-16(11,12)4-17(13,14)15/h5,8H,1-4,7H2,(H,9,10)(H,11,12)(H2,13,14,15)/p-1/t5-/m0/s1
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2.30E+6n/an/an/an/an/an/a7.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079025
PNG
((2S)-2-ammonio-4-[({[(hydroxyphosphinato)methyl]ph...)
Show SMILES [NH3+][C@@H](CC[NH2+]CP([O-])(=O)CP(O)([O-])=O)C([O-])=O
Show InChI InChI=1S/C6H16N2O7P2/c7-5(6(9)10)1-2-8-3-16(11,12)4-17(13,14)15/h5,8H,1-4,7H2,(H,9,10)(H,11,12)(H2,13,14,15)/p-1/t5-/m0/s1
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3.20E+6n/an/an/an/an/an/a8.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM14671
PNG
(Fragment 1 | Phosphate | phosphoric acid)
Show SMILES OP(O)(O)=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
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6.00E+6n/an/an/an/an/an/a8.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50162816
PNG
(CHEMBL180570 | Medronic acid | Methylene diphsphon...)
Show SMILES OP(O)(=O)CP(O)(O)=O
Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
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CHEMBL
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PubMed
9.00E+6n/an/an/an/an/an/a8.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM14671
PNG
(Fragment 1 | Phosphate | phosphoric acid)
Show SMILES OP(O)(O)=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
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1.20E+7n/an/an/an/an/an/a7.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM14671
PNG
(Fragment 1 | Phosphate | phosphoric acid)
Show SMILES OP(O)(O)=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
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>2.00E+7n/an/an/an/an/an/a6.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM maleate, 0.5 m...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079021
PNG
((2S)-2-[(tert-butoxycarbonyl)amino]-5-[({[(hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC[NH2+]CP([O-])(=O)CP(O)([O-])=O)C([O-])=O
Show InChI InChI=1S/C12H26N2O9P2/c1-12(2,3)23-11(17)14-9(10(15)16)5-4-6-13-7-24(18,19)8-25(20,21)22/h9,13H,4-8H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)(H2,20,21,22)/p-2/t9-/m0/s1
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>2.00E+7n/an/an/an/an/an/a6.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM maleate, 0.5 m...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50162816
PNG
(CHEMBL180570 | Medronic acid | Methylene diphsphon...)
Show SMILES OP(O)(=O)CP(O)(O)=O
Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
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Article
PubMed
>2.00E+7n/an/an/an/an/an/a6.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM maleate, 0.5 m...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50162816
PNG
(CHEMBL180570 | Medronic acid | Methylene diphsphon...)
Show SMILES OP(O)(=O)CP(O)(O)=O
Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
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PubMed
>2.00E+7n/an/an/an/an/an/a7.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 ...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair
Ornithine transcarbamylase, mitochondrial


(Homo sapiens (Human))
BDBM50079025
PNG
((2S)-2-ammonio-4-[({[(hydroxyphosphinato)methyl]ph...)
Show SMILES [NH3+][C@@H](CC[NH2+]CP([O-])(=O)CP(O)([O-])=O)C([O-])=O
Show InChI InChI=1S/C6H16N2O7P2/c7-5(6(9)10)1-2-8-3-16(11,12)4-17(13,14)15/h5,8H,1-4,7H2,(H,9,10)(H,11,12)(H2,13,14,15)/p-1/t5-/m0/s1
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>2.00E+7n/an/an/an/an/an/a6.0n/a



Universit£tstrasse 16

Curated by ChEMBL


Assay Description
Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM maleate, 0.5 m...


J Med Chem 42: 2633-40 (1999)


Article DOI: 10.1021/jm991008q
BindingDB Entry DOI: 10.7270/Q2NV9JX8
More data for this
Ligand-Target Pair