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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 = 50066780   
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))
BDBM50066780
PNG
(4-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CN=C(N)C1
Show InChI InChI=1/C5H10N2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3,(H2,6,7)
PDB
MMDB

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B.MOAD
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/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))
BDBM50066780
PNG
(4-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CN=C(N)C1
Show InChI InChI=1/C5H10N2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3,(H2,6,7)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+3n/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