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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, inducible' and Monomerid = 50155783   
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))
BDBM50155783
PNG
(2-Methyl-[1,4]thiazepan-(5E)-ylideneamine | CHEMBL...)
Show SMILES CC1CN=C(N)CCS1
Show InChI InChI=1/C6H12N2S/c1-5-4-8-6(7)2-3-9-5/h5H,2-4H2,1H3,(H2,7,8)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 5907-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.019
BindingDB Entry DOI: 10.7270/Q2JQ10HX
More data for this
Ligand-Target Pair