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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, inducible' and Monomerid = 50148171   
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, inducible


(Homo sapiens (Human))
BDBM50148171
PNG
(4-(Pyridin-2-ylamino)-piperidine-1-carboxylic acid...)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1ccccn1
Show InChI InChI=1S/C13H19N3O2/c1-2-18-13(17)16-9-6-11(7-10-16)15-12-5-3-4-8-14-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of iNOS


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50148171
PNG
(4-(Pyridin-2-ylamino)-piperidine-1-carboxylic acid...)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1ccccn1
Show InChI InChI=1S/C13H19N3O2/c1-2-18-13(17)16-9-6-11(7-10-16)15-12-5-3-4-8-14-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human Inducible 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