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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 = 50205914   
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))
BDBM50205914
PNG
(CHEMBL220156 | N-(1,3-benzodioxol-5-ylmethyl)-1-[2...)
Show SMILES O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)S(=O)(=O)c1ccccc1)NCc1ccc2OCOc2c1
Show InChI InChI=1/C27H27N7O5S/c35-26(30-16-20-6-7-23-24(14-20)39-19-38-23)15-21-17-33(40(36,37)22-4-2-1-3-5-22)12-13-34(21)25-8-9-29-27(31-25)32-11-10-28-18-32/h1-11,14,18,21H,12-13,15-17,19H2,(H,30,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/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