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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 = 50115166   
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))
BDBM50115166
PNG
(2-Benzyloxycarbonylamino-3-phenyl-propionic acid 2...)
Show SMILES Nc1nc(N)c2nc(COC(=O)C(Cc3ccccc3)NC(=O)OCc3ccccc3)cnc2n1
Show InChI InChI=1/C24H23N7O4/c25-20-19-21(31-23(26)30-20)27-12-17(28-19)14-34-22(32)18(11-15-7-3-1-4-8-15)29-24(33)35-13-16-9-5-2-6-10-16/h1-10,12,18H,11,13-14H2,(H,29,33)(H4,25,26,27,30,31)
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PC sid
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Similars

Article
PubMed
n/an/a 1.80E+5n/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