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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, endothelial' and Monomerid = 50091805   
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, endothelial


(Homo sapiens (Human))
BDBM50091805
PNG
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)
Show SMILES Cc1cc(C)nc(N)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
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Article
PubMed
n/an/a 44.7n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50091805
PNG
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)
Show SMILES Cc1cc(C)nc(N)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
PDB

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CHEBI
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against endothelial nitric oxide synthase (eNOS)


Bioorg Med Chem Lett 10: 1975-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00389-9
BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50091805
PNG
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)
Show SMILES Cc1cc(C)nc(N)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human endothelial nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair