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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, brain' and Monomerid = 50139526   
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))
BDBM50139526
PNG
((3aS,9bR)-3a-Fluoro-7-methylaminomethyl-2,3,3a,9b-...)
Show SMILES CNCc1ccc2[C@H]3CCC[C@@]3(F)C(N)=Nc2c1
Show InChI InChI=1S/C14H18FN3/c1-17-8-9-4-5-10-11-3-2-6-14(11,15)13(16)18-12(10)7-9/h4-5,7,11,17H,2-3,6,8H2,1H3,(H2,16,18)/t11-,14+/m1/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibition of human neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 743-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.022
BindingDB Entry DOI: 10.7270/Q2GB23F7
More data for this
Ligand-Target Pair