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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' and Ligand = 'BDBM50091813'   
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))
BDBM50091813
PNG
(4-Ethyl-pyridin-2-ylamine | 4-ethylpyridin-2-amine...)
Show SMILES CCc1ccnc(N)c1
Show InChI InChI=1S/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9)
PDB
MMDB

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PubMed
n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against inducible nitric oxide synthase (iNOS)


Bioorg Med Chem Lett 10: 1975-8 (2001)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50091813
PNG
(4-Ethyl-pyridin-2-ylamine | 4-ethylpyridin-2-amine...)
Show SMILES CCc1ccnc(N)c1
Show InChI InChI=1S/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/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))
BDBM50091813
PNG
(4-Ethyl-pyridin-2-ylamine | 4-ethylpyridin-2-amine...)
Show SMILES CCc1ccnc(N)c1
Show InChI InChI=1S/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/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