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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50049254'   
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
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
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Article
PubMed
1.40E+6n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards inducible nitric oxide synthase


Bioorg Med Chem Lett 15: 3934-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.088
BindingDB Entry DOI: 10.7270/Q2V69KBC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
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Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
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Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Université de Haute-Alsace

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against iNOS obtained from RAW 264.7 cells.


Bioorg Med Chem Lett 8: 2961-6 (1999)


Article DOI: 10.1016/S0960-894X(98)00532-0
BindingDB Entry DOI: 10.7270/Q2DZ07G5
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

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UniChem

Patents


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Article
PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS by griess assay


Bioorg Med Chem 16: 2305-12 (2008)


Article DOI: 10.1016/j.bmc.2007.11.066
BindingDB Entry DOI: 10.7270/Q2KW5GXN
More data for this
Ligand-Target Pair