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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, inducible' and Monomerid = 50270528   
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))
BDBM50270528
PNG
(3-BROMO-7-NITROINDAZOLE | 3-bromo-7-nitro-1H-indaz...)
Show SMILES [O-][N+](=O)c1cccc2c(Br)n[nH]c12
Show InChI InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
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PC cid
PC sid
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Article
PubMed
n/an/a 290n/an/an/an/an/an/a



UNED

Curated by ChEMBL


Assay Description
Inhibition of NOS2


Bioorg Med Chem 17: 6180-7 (2009)


Article DOI: 10.1016/j.bmc.2009.07.067
BindingDB Entry DOI: 10.7270/Q2ZG6SBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50270528
PNG
(3-BROMO-7-NITROINDAZOLE | 3-bromo-7-nitro-1H-indaz...)
Show SMILES [O-][N+](=O)c1cccc2c(Br)n[nH]c12
Show InChI InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
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PC cid
PC sid
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Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Université de Versailles

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


Bioorg Med Chem 16: 5962-73 (2008)


Article DOI: 10.1016/j.bmc.2008.04.056
BindingDB Entry DOI: 10.7270/Q2GB23VM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)