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There are 139 purchasable compounds for target: Neuronal nitric oxide synthase

Compile data set for download or QSAR
Wt: 68.0
BDBM7882
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Wt: 172.2
BDBM7885
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Wt: 144.1
BDBM7886
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Wt: 144.1
BDBM14320
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Wt: 118.1
BDBM24627
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Wt: 202.2
BDBM92901
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Wt: 175.1
BDBM92903
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Wt: 134.1
BDBM50008990
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Wt: 94.1
BDBM50013712
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Wt: 187.2
BDBM50030277
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Wt: 99.1
BDBM50049248
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Wt: 116.1
BDBM50049250
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Wt: 84.1
BDBM50049251
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Wt: 219.1
BDBM50049252
Wt: 98.1
BDBM50049255
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Displayed 1 to 15 (of 139 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 7882,7885,7886,14320,24627,92901,92903,50008990,50013712,50030277,50049248,50049250,50049251,50049252,50049255   
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


(Rattus norvegicus (rat))
BDBM92901
PNG
(ADMA, 3)
Show SMILES CN(C)C(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
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700n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM7882
PNG
(1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...)
Show SMILES c1c[nH]cn1
Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
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1.75E+5n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline


Bioorg Med Chem 16: 6193-206 (2008)


Article DOI: 10.1016/j.bmc.2008.04.036
BindingDB Entry DOI: 10.7270/Q2611040
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM7886
PNG
(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
Show SMILES c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
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4.30E+5n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline


Bioorg Med Chem 16: 6193-206 (2008)


Article DOI: 10.1016/j.bmc.2008.04.036
BindingDB Entry DOI: 10.7270/Q2611040
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM92903
PNG
(L-Citrulline, 4)
Show SMILES N[C@@H](CCCNC(N)=O)C(O)=O
Show InChI InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50013712
PNG
(2-aminopyridin | 2-aminopyridine | CHEMBL21619 | P...)
Show SMILES Nc1ccccn1
Show InChI InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type rat nNOS by hemoglobin capture assay


J Med Chem 52: 4533-7 (2009)


Article DOI: 10.1021/jm900380j
BindingDB Entry DOI: 10.7270/Q2TQ61G8
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50013712
PNG
(2-aminopyridin | 2-aminopyridine | CHEMBL21619 | P...)
Show SMILES Nc1ccccn1
Show InChI InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human nNOS by hemoglobin capture assay


J Med Chem 52: 4533-7 (2009)


Article DOI: 10.1021/jm900380j
BindingDB Entry DOI: 10.7270/Q2TQ61G8
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50049251
PNG
(CHEMBL161318 | CHEMBL543888 | Pyrrolidin-(2Z)-ylid...)
Show SMILES NC1=NCCC1
Show InChI InChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50008990
PNG
(1,2-Dihydro-indazol-3-one | 1H-indazol-3-ol | CHEM...)
Show SMILES O=c1[nH][nH]c2ccccc12
Show InChI InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)
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n/an/a>1.00E+6n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of recombinant NOS1 assessed as citrulline formation


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM7885
PNG
(1-benzyl-2-methyl-1H-imidazole | US9138393, 1-benz...)
Show SMILES Cc1nccn1Cc1ccccc1
Show InChI InChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of rat brain nNOS assessed as nitric oxide mediated oxidation of oxyhemoglobin to methemoglobin


Bioorg Med Chem Lett 20: 6495-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.059
BindingDB Entry DOI: 10.7270/Q2GX4BTP
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50008990
PNG
(1,2-Dihydro-indazol-3-one | 1H-indazol-3-ol | CHEM...)
Show SMILES O=c1[nH][nH]c2ccccc12
Show InChI InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)
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n/an/a>1.00E+6n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of nNOS in LPS-stimulated Wistar rat striata assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by liquid scintillati...


Eur J Med Chem 46: 1439-47 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.027
BindingDB Entry DOI: 10.7270/Q2891659
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50030277
PNG
((R)-6-Acetimidoylamino-2-amino-hexanoic acid | CHE...)
Show SMILES CC(=N)NCCCC[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1
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n/an/a 3.70E+4n/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)


Article DOI: 10.1016/s0960-894x(00)00055-x
BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50049251
PNG
(CHEMBL161318 | CHEMBL543888 | Pyrrolidin-(2Z)-ylid...)
Show SMILES NC1=NCCC1
Show InChI InChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6)
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n/an/a 2.00E+4n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal 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, brain


(Homo sapiens (Human))
BDBM50049252
PNG
(2-Amino-5-(N-nitro-guanidino)-pentanoic acid | CHE...)
Show SMILES N[C@@H](CCCN(C(N)=N)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-10(6(8)9)11(14)15/h4H,1-3,7H2,(H3,8,9)(H,12,13)/t4-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal 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, brain


(Homo sapiens (Human))
BDBM50049248
PNG
(CHEMBL158626 | Tetrahydro-pyrimidin-2-ylideneamine)
Show SMILES NC1=NCCCN1
Show InChI InChI=1S/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7)
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n/an/a 1.70E+4n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal 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, brain


(Homo sapiens (Human))
BDBM50049250
PNG
(CHEMBL306541 | [1,3]Thiazinan-(2E)-ylideneamine | ...)
Show SMILES NC1=NCCCS1
Show InChI InChI=1S/C4H8N2S/c5-4-6-2-1-3-7-4/h1-3H2,(H2,5,6)
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n/an/a 3.20E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal 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, brain


(Homo sapiens (Human))
BDBM50049255
PNG
(CHEMBL269058 | PIPERIDIN-2-IMINE | Piperidin-(2E)-...)
Show SMILES NC1=NCCCC1
Show InChI InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)
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n/an/a 1.10E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal 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, brain


(Homo sapiens (Human))
BDBM50049251
PNG
(CHEMBL161318 | CHEMBL543888 | Pyrrolidin-(2Z)-ylid...)
Show SMILES NC1=NCCC1
Show InChI InChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6)
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n/an/a 2.00E+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


(Homo sapiens (Human))
BDBM50049255
PNG
(CHEMBL269058 | PIPERIDIN-2-IMINE | Piperidin-(2E)-...)
Show SMILES NC1=NCCCC1
Show InChI InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)
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n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50013712
PNG
(2-aminopyridin | 2-aminopyridine | CHEMBL21619 | P...)
Show SMILES Nc1ccccn1
Show InChI InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
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n/an/a 4.80E+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)


Article DOI: 10.1016/s0960-894x(00)00389-9
BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM14320
PNG
(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Show SMILES Nc1nccc2ccccc12
Show InChI InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
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n/an/a 6.60E+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)


Article DOI: 10.1016/s0960-894x(00)00389-9
BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50049255
PNG
(CHEMBL269058 | PIPERIDIN-2-IMINE | Piperidin-(2E)-...)
Show SMILES NC1=NCCCC1
Show InChI InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)
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n/an/a 1.10E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM24627
PNG
(1H-indazole | Indazole, 5 | Indazole, 6)
Show SMILES c1n[nH]c2ccccc12
Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)
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n/an/a 1.78E+5n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of recombinant NOS1 assessed as citrulline formation


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 7882,7885,7886,14320,24627,92901,92903,50008990,50013712,50030277,50049248,50049250,50049251,50049252,50049255
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM7886
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
MMDB
PC cid
PC sid
PDB
-2.152.63-4.781.571024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM7886
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
MMDB
PC cid
PC sid
PDB
-1.917.40-9.311.401024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)