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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 = 50141075   
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))
BDBM50141075
PNG
(6-[8-(2-Dimethylamino-ethoxy)-1,2,3,4-tetrahydro-1...)
Show SMILES CN(C)CCOc1ccc(c2C3CCC(C3)c12)-c1cccc(N)n1
Show InChI InChI=1S/C20H25N3O/c1-23(2)10-11-24-17-9-8-15(16-4-3-5-18(21)22-16)19-13-6-7-14(12-13)20(17)19/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H2,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.08E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human inducible nitric oxide synthase


J Med Chem 47: 1575-86 (2004)


Article DOI: 10.1021/jm030519g
BindingDB Entry DOI: 10.7270/Q2J102MT
More data for this
Ligand-Target Pair