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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 = 'BDBM50374734'   
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


(Mus musculus (mouse))
BDBM50374734
PNG
(CHEMBL558773)
Show SMILES Cc1ccc(NC(=O)C2CC(CN2)NC(=O)CCCCCNC(N)=N[N+]([O-])=O)cc1 |w:24.25|
Show InChI InChI=1S/C19H29N7O4/c1-13-6-8-14(9-7-13)24-18(28)16-11-15(12-22-16)23-17(27)5-3-2-4-10-21-19(20)25-26(29)30/h6-9,15-16,22H,2-5,10-12H2,1H3,(H,23,27)(H,24,28)(H3,20,21,25)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.23E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages


Bioorg Med Chem 16: 578-85 (2008)


Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN
More data for this
Ligand-Target Pair