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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, endothelial' and Monomerid = 50292748   
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))
BDBM50292748
PNG
(1-{[3-({[(4-Methylphenyl)sulfonyl]amino}methyl)ben...)
Show SMILES C\C(N)=[NH+]\Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C17H21N3O2S/c1-13-6-8-17(9-7-13)23(21,22)20-12-16-5-3-4-15(10-16)11-19-14(2)18/h3-10,20H,11-12H2,1-2H3,(H2,18,19)/p+1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...


J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair