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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50230993'   
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, brain


(Rattus norvegicus (rat))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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Article
PubMed
200n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS


J Med Chem 56: 3121-47 (2013)


Article DOI: 10.1021/jm3015926
BindingDB Entry DOI: 10.7270/Q23T9JKG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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840n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Neuronal nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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840n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (nNOS) isoenzyme.


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum


Bioorg Med Chem Lett 11: 1027-30 (2001)


BindingDB Entry DOI: 10.7270/Q2F76BT7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibition of conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by neuronal NOS (n NOS) from rat cerebellum


Bioorg Med Chem Lett 11: 1023-6 (2001)


BindingDB Entry DOI: 10.7270/Q2K073JZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human (neuronal nitric oxide synthase) n-NOS


Bioorg Med Chem Lett 13: 1981-4 (2003)


BindingDB Entry DOI: 10.7270/Q2FN16QG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 950n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by ...


ACS Med Chem Lett 3: 227-231 (2012)


Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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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 Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...


J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase


Bioorg Med Chem Lett 10: 1975-8 (2001)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Mus musculus)
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of neuronal nitric oxide synthase (nNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)


BindingDB Entry DOI: 10.7270/Q2XP74C4
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay


J Med Chem 41: 2636-42 (1998)


Article DOI: 10.1021/jm980073h
BindingDB Entry DOI: 10.7270/Q26Q1WD7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against nNOS(constitutive isoform found in neurons)


Bioorg Med Chem Lett 6: 999-1002 (1996)


Article DOI: 10.1016/0960-894X(96)00144-8
BindingDB Entry DOI: 10.7270/Q2TT4QZ3
More data for this
Ligand-Target Pair