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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 = 50205981   
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))
BDBM50205981
PNG
(2-[2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethy...)
Show SMILES COC(=O)N1CCN(CC1CC(=O)NCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1
Show InChI InChI=1/C24H27N7O5/c1-16-9-21(28-23(27-16)30-6-5-25-14-30)29-7-8-31(24(33)34-2)18(13-29)11-22(32)26-12-17-3-4-19-20(10-17)36-15-35-19/h3-6,9-10,14,18H,7-8,11-13,15H2,1-2H3,(H,26,32)
PDB
MMDB

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Reactome pathway
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation


J Med Chem 50: 1146-57 (2007)


Article DOI: 10.1021/jm061319i
BindingDB Entry DOI: 10.7270/Q2SX6CWJ
More data for this
Ligand-Target Pair