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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 = 50065816   
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))
BDBM50065816
PNG
(CHEMBL542910 | N-[4-(3,4-Dihydro-1H-isoquinolin-2-...)
Show SMILES CC(N)=Nc1ccc(CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C18H21N3/c1-14(19)20-18-8-6-15(7-9-18)12-21-11-10-16-4-2-3-5-17(16)13-21/h2-9H,10-13H2,1H3,(H2,19,20)
PDB
MMDB

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KEGG

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (nNOS) isoenzyme.


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair