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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 = 50115169   
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))
BDBM50115169
PNG
(3-(4-Benzoyl-phenyl)-propionic acid 2-amino-4-oxo-...)
Show SMILES Nc1nc2ncc(COC(=O)CCc3ccc(cc3)C(=O)c3ccccc3)nc2c(=O)[nH]1
Show InChI InChI=1S/C23H19N5O4/c24-23-27-21-19(22(31)28-23)26-17(12-25-21)13-32-18(29)11-8-14-6-9-16(10-7-14)20(30)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11,13H2,(H3,24,25,27,28,31)
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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