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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 = 50134378   
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))
BDBM50134378
PNG
((2S)-5-{[(Z)-amino(imino)methyl]amino}-2-(methylam...)
Show SMILES CN[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/s2
PDB
MMDB

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CHEBI
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in baculovirus-infected insect sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline preincubat...


J Med Chem 55: 3488-501 (2012)


Article DOI: 10.1021/jm300138g
BindingDB Entry DOI: 10.7270/Q2KW5H2V
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50134378
PNG
((2S)-5-{[(Z)-amino(imino)methyl]amino}-2-(methylam...)
Show SMILES CN[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against inducible nitric acid synthase


Bioorg Med Chem Lett 15: 1361-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.013
BindingDB Entry DOI: 10.7270/Q2G160B2
More data for this
Ligand-Target Pair