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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, endothelial' and Monomerid = 50292744   
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


(Bos taurus (bovine))
BDBM50292744
PNG
(1-(Benzylamino)ethaniminium bromide | CHEMBL462334)
Show SMILES C\C(N)=[NH+]\Cc1ccccc1
Show InChI InChI=1S/C9H12N2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,10,11)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+5n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of bovine eNOS assessed as nitric oxide mediated oxidation of oxyhemoglobin to methemoglobin


Bioorg Med Chem Lett 20: 6495-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.059
BindingDB Entry DOI: 10.7270/Q2GX4BTP
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50292744
PNG
(1-(Benzylamino)ethaniminium bromide | CHEMBL462334)
Show SMILES C\C(N)=[NH+]\Cc1ccccc1
Show InChI InChI=1S/C9H12N2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,10,11)/p+1
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+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