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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 = 50279393   
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))
BDBM50279393
PNG
((+/-)-6-((4-(2-(3-fluorophenethoxy)ethylamino)pyrr...)
Show SMILES Cc1cc(N)nc(CC2CNCC2NCCOCCc2cccc(F)c2)c1
Show InChI InChI=1/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-24-14-20(17)25-6-8-27-7-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 6.60E+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