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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 = 50081085   
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))
BDBM50081085
PNG
(1-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)
Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)C(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C25H28N4O/c26-24-8-4-7-23(27-24)22-11-9-20(10-12-22)13-14-28-15-17-29(18-16-28)25(30)19-21-5-2-1-3-6-21/h1-12H,13-19H2,(H2,26,27)
PDB
MMDB

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Article
PubMed
n/an/a 137n/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 2569-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00432-1
BindingDB Entry DOI: 10.7270/Q2BC3XRP
More data for this
Ligand-Target Pair