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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'Ornithine carbamoyltransferase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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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9.00E+6n/an/an/an/an/an/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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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>2.00E+7n/an/an/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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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>2.00E+7n/an/an/an/an/an/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Ornithine carbamoyltransferase


(Homo sapiens)
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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Article
PubMed
>2.00E+7n/an/an/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair