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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, endothelial' and Monomerid = 50148162   
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))
BDBM50148162
PNG
(4-(4-Methyl-pyridin-2-ylamino)-piperidine-1-carbox...)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(C)ccn1
Show InChI InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)
PDB

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PC sid
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Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human endothelial nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50148162
PNG
(4-(4-Methyl-pyridin-2-ylamino)-piperidine-1-carbox...)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(C)ccn1
Show InChI InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)
PDB

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CHEMBL
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MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 5.80E+4n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of wild type human eNOS using L-Arg as substrate incubated for 1 hr prior to L-Arg addition


Eur J Med Chem 58: 117-27 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.010
BindingDB Entry DOI: 10.7270/Q29024XX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50148162
PNG
(4-(4-Methyl-pyridin-2-ylamino)-piperidine-1-carbox...)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(C)ccn1
Show InChI InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)
PDB

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 5.80E+4n/an/an/an/a7.037



The Scripps Research Institute



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


Nat Chem Biol 4: 700-7 (2008)


Article DOI: 10.1038/nchembio.115
BindingDB Entry DOI: 10.7270/Q2SB443Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)