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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 = 50205956   
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))
BDBM50205956
PNG
(CHEMBL223788 | N-(1,3-benzodioxol-5-ylmethyl)-1-[6...)
Show SMILES Clc1cc(nc(n1)-n1ccnc1)N1CCCCC1CC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1/C22H23ClN6O3/c23-19-11-20(27-22(26-19)28-8-6-24-13-28)29-7-2-1-3-16(29)10-21(30)25-12-15-4-5-17-18(9-15)32-14-31-17/h4-6,8-9,11,13,16H,1-3,7,10,12,14H2,(H,25,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.490n/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