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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, brain' and Monomerid = 50120680   
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


(Homo sapiens (Human))
BDBM50120680
PNG
(5-Imino-3-methyl-2-pentyl-pyrrolidinium; chloride ...)
Show SMILES CCCCC[C@H]1[NH2+]C(=N)C[C@H]1C
Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/p+1/t8-,9-/m1/s1
PDB
MMDB

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KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was tested against Neuronal nitric oxide synthase


Bioorg Med Chem Lett 12: 3337-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00686-8
BindingDB Entry DOI: 10.7270/Q22F7MS4
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50120680
PNG
(5-Imino-3-methyl-2-pentyl-pyrrolidinium; chloride ...)
Show SMILES CCCCC[C@H]1[NH2+]C(=N)C[C@H]1C
Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/p+1/t8-,9-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 12: 3337-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00686-8
BindingDB Entry DOI: 10.7270/Q22F7MS4
More data for this
Ligand-Target Pair