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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, brain' and Monomerid = 50115154   
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))
BDBM50115154
PNG
(2-Amino-6-(4-fluoro-phenyl)-3H-pteridin-4-one | CH...)
Show SMILES Nc1nc2ncc(nc2c(=O)[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8FN5O/c13-7-3-1-6(2-4-7)8-5-15-10-9(16-8)11(19)18-12(14)17-10/h1-5H,(H3,14,15,17,18,19)
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8.00E+3n/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
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50115154
PNG
(2-Amino-6-(4-fluoro-phenyl)-3H-pteridin-4-one | CH...)
Show SMILES Nc1nc2ncc(nc2c(=O)[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8FN5O/c13-7-3-1-6(2-4-7)8-5-15-10-9(16-8)11(19)18-12(14)17-10/h1-5H,(H3,14,15,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.55E+4n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibitory activity against human Nitric oxide synthase-I with 2 uM H4Bip for 30 min


J Med Chem 48: 4783-92 (2005)


Article DOI: 10.1021/jm050007x
BindingDB Entry DOI: 10.7270/Q28W3CTH
More data for this
Ligand-Target Pair