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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 = 50062129   
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))
BDBM50062129
PNG
(3,4-Dihydro-1H-quinolin-(2E)-ylideneamine | 3,4-Di...)
Show SMILES NC1=Nc2ccccc2CC1
Show InChI InChI=1S/C9H10N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H2,10,11)
PDB
MMDB

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50062129
PNG
(3,4-Dihydro-1H-quinolin-(2E)-ylideneamine | 3,4-Di...)
Show SMILES NC1=Nc2ccccc2CC1
Show InChI InChI=1S/C9H10N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H2,10,11)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair