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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 = 50081080   
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))
BDBM50081080
PNG
(6-{4-[2-(4-Phenethyl-piperazin-1-yl)-ethyl]-phenyl...)
Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C25H30N4/c26-25-8-4-7-24(27-25)23-11-9-22(10-12-23)14-16-29-19-17-28(18-20-29)15-13-21-5-2-1-3-6-21/h1-12H,13-20H2,(H2,26,27)
PDB
MMDB

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Article
PubMed
n/an/a 264n/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