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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 = 50115134   
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))
BDBM50115134
PNG
(2-Benzyloxycarbonylamino-3-phenyl-propionic acid 2...)
Show SMILES Nc1nc2ncc(COC(=O)C(Cc3ccccc3)NC(=O)OCc3ccccc3)nc2c(=O)[nH]1
Show InChI InChI=1/C24H22N6O5/c25-23-29-20-19(21(31)30-23)27-17(12-26-20)14-34-22(32)18(11-15-7-3-1-4-8-15)28-24(33)35-13-16-9-5-2-6-10-16/h1-10,12,18H,11,13-14H2,(H,28,33)(H3,25,26,29,30,31)
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PC sid
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Similars

Article
PubMed
n/an/a 3.80E+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