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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 Ligand = 'BDBM50363265'   
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))
BDBM50363265
PNG
(CHEMBL1944720)
Show SMILES Fc1ccc2c(CN(Cc3ccccc3)c3cnccn3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C21H16F2N4O/c22-17-7-6-16-15(10-19(28)26-21(16)20(17)23)13-27(18-11-24-8-9-25-18)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Afraxis

Curated by ChEMBL


Assay Description
Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay


Bioorg Med Chem Lett 22: 1237-41 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5
More data for this
Ligand-Target Pair