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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 = 50117554   
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))
BDBM50117554
PNG
((3aR,9bS)-6-Fluoro-2,3,3a,9b-tetrahydro-1H-cyclope...)
Show SMILES NC1=Nc2c(F)cccc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H13FN2/c13-10-6-2-4-8-7-3-1-5-9(7)12(14)15-11(8)10/h2,4,6-7,9H,1,3,5H2,(H2,14,15)/t7-,9-/m1/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibition of human endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 743-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.022
BindingDB Entry DOI: 10.7270/Q2GB23F7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50117554
PNG
((3aR,9bS)-6-Fluoro-2,3,3a,9b-tetrahydro-1H-cyclope...)
Show SMILES NC1=Nc2c(F)cccc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H13FN2/c13-10-6-2-4-8-7-3-1-5-9(7)12(14)15-11(8)10/h2,4,6-7,9H,1,3,5H2,(H2,14,15)/t7-,9-/m1/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelial nitric oxide synthase.


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair