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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 = 50098933   
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))
BDBM50098933
PNG
(3-Thiophen-2-yl-3,4-dihydro-isoquinolin-1-ylamine ...)
Show SMILES NC1=NC(Cc2ccccc12)c1cccs1
Show InChI InChI=1S/C13H12N2S/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12/h1-7,11H,8H2,(H2,14,15)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by endothelial NOS (e NOS) from HUVEC cells


Bioorg Med Chem Lett 11: 1023-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00119-6
BindingDB Entry DOI: 10.7270/Q2K073JZ
More data for this
Ligand-Target Pair