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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 = 29246   
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))
BDBM29246
PNG
(quinolinone, 17)
Show SMILES COc1cccc(c1)N(Cc1cc(=O)[nH]c2c(F)cccc12)C(=O)c1scnc1C
Show InChI InChI=1S/C22H18FN3O3S/c1-13-21(30-12-24-13)22(28)26(15-5-3-6-16(10-15)29-2)11-14-9-19(27)25-20-17(14)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 990n/an/an/a25



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


J Med Chem 52: 3047-62 (2009)


Article DOI: 10.1021/jm900173b
BindingDB Entry DOI: 10.7270/Q2D798RB
More data for this
Ligand-Target Pair