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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 = 50312520   
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))
BDBM50312520
PNG
(6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophen...)
Show SMILES Cc1cc(N)nc(CC2CNCC2OCCNCC(F)c2cccc(F)c2)c1
Show InChI InChI=1/C21H28F2N4O/c1-14-7-18(27-21(24)8-14)10-16-11-26-13-20(16)28-6-5-25-12-19(23)15-3-2-4-17(22)9-15/h2-4,7-9,16,19-20,25-26H,5-6,10-13H2,1H3,(H2,24,27)
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of nNOS in HEK293T cells assessed as nitrite formation


Bioorg Med Chem Lett 20: 554-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.086
BindingDB Entry DOI: 10.7270/Q20G3K86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)