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BDBM50134378 (2S)-5-{[(Z)-amino(imino)methyl]amino}-2-(methylamino)pentanoic acid::(2S)-5-{[amino(imino)methyl]amino}-2-(methylamino)pentanoic acid::(S)-5-Guanidino-2-methylamino-pentanoic acid::(S)-5-guanidino-2-(methylamino)pentanoic acid::CHEMBL332148::N-Monomethyl-L-arginine::N~5~-(DIAMINOMETHYLENE)-N~2~-METHYLORNITHINE

SMILES: [#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=NTWVQPHTOUKMDI-YFKPBYRVSA-N

Data: 5 IC50

PDB links: 6 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50134378   
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
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50134378
PNG
((2S)-5-{[(Z)-amino(imino)methyl]amino}-2-(methylam...)
Show SMILES [#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1
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Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against neuronal nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50134378
PNG
((2S)-5-{[(Z)-amino(imino)methyl]amino}-2-(methylam...)
Show SMILES [#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1
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Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against inducible nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50134378
PNG
((2S)-5-{[(Z)-amino(imino)methyl]amino}-2-(methylam...)
Show SMILES [#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1
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Article
PubMed
n/an/a 650n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human eNOS expressed in baculovirus-infected insect sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline preincubat...


J Med Chem 55: 3488-501 (2012)


Article DOI: 10.1021/jm300138g
BindingDB Entry DOI: 10.7270/Q2KW5H2V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50134378
PNG
((2S)-5-{[(Z)-amino(imino)methyl]amino}-2-(methylam...)
Show SMILES [#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1
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Article
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n/an/a 950n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in baculovirus-infected insect sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline preincubat...


J Med Chem 55: 3488-501 (2012)


Article DOI: 10.1021/jm300138g
BindingDB Entry DOI: 10.7270/Q2KW5H2V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50134378
PNG
((2S)-5-{[(Z)-amino(imino)methyl]amino}-2-(methylam...)
Show SMILES [#6]-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1
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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in baculovirus-infected insect sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline preincubat...


J Med Chem 55: 3488-501 (2012)


Article DOI: 10.1021/jm300138g
BindingDB Entry DOI: 10.7270/Q2KW5H2V
More data for this
Ligand-Target Pair