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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 = 50115125   
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))
BDBM50115125
PNG
(4-Azido-benzoic acid 2-amino-4-oxo-3,4-dihydro-pte...)
Show SMILES Nc1nc2ncc(COC(=O)c3ccc(cc3)N=[N+]=[N-])nc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N8O3/c15-14-19-11-10(12(23)20-14)18-9(5-17-11)6-25-13(24)7-1-3-8(4-2-7)21-22-16/h1-5H,6H2,(H3,15,17,19,20,23)
PDB
MMDB

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B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+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