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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 = 50115153   
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))
BDBM50115153
PNG
(6-(3,4-Dimethoxy-phenyl)-4-piperidin-1-yl-pteridin...)
Show SMILES COc1ccc(cc1OC)-c1cnc2nc(N)nc(N3CCCCC3)c2n1
Show InChI InChI=1S/C19H22N6O2/c1-26-14-7-6-12(10-15(14)27-2)13-11-21-17-16(22-13)18(24-19(20)23-17)25-8-4-3-5-9-25/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,20,21,23,24)
PDB
MMDB

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Article
PubMed
n/an/a 4.40E+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