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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 Ligand = 'BDBM50091801'   
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))
BDBM50091801
PNG
(6-Isobutyl-4-methyl-pyridin-2-ylamine | 6-isobutyl...)
Show SMILES CC(C)Cc1cc(C)cc(N)n1
Show InChI InChI=1S/C10H16N2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-7H,4H2,1-3H3,(H2,11,12)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human eNOS


J Med Chem 52: 2443-53 (2009)


Article DOI: 10.1021/jm801556h
BindingDB Entry DOI: 10.7270/Q2QJ7H66
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50091801
PNG
(6-Isobutyl-4-methyl-pyridin-2-ylamine | 6-isobutyl...)
Show SMILES CC(C)Cc1cc(C)cc(N)n1
Show InChI InChI=1S/C10H16N2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-7H,4H2,1-3H3,(H2,11,12)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/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