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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 = 50115151   
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))
BDBM50115151
PNG
(6-Phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydro-pteri...)
Show SMILES Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccccc1
Show InChI InChI=1/C17H22N6/c18-17-21-15-14(16(22-17)23-9-5-2-6-10-23)20-13(11-19-15)12-7-3-1-4-8-12/h1,3-4,7-8,13,20H,2,5-6,9-11H2,(H3,18,19,21,22)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 6.00E+3n/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