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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 = 50081590   
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))
BDBM50081590
PNG
(6-(4-Methoxy-phenyl)-4-piperidin-1-yl-pteridin-2-y...)
Show SMILES COc1ccc(cc1)-c1cnc2nc(N)nc(N3CCCCC3)c2n1
Show InChI InChI=1S/C18H20N6O/c1-25-13-7-5-12(6-8-13)14-11-20-16-15(21-14)17(23-18(19)22-16)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10H2,1H3,(H2,19,20,22,23)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (NOS-I)


J Med Chem 45: 2923-41 (2002)


Article DOI: 10.1021/jm020074g
BindingDB Entry DOI: 10.7270/Q2571BBK
More data for this
Ligand-Target Pair