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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 = 'BDBM50079023'   
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))
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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PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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)