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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ornithine transcarbamylase, mitochondrial' and Ligand = 'BDBM50079021'   
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
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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PC cid
PC sid
UniChem
Article
PubMed
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))
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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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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