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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, brain' and Monomerid = 50090934   
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, brain


(Homo sapiens (Human))
BDBM50090934
PNG
(CHEMBL317303 | L-Arg NO2-L-Dbu-OC(CH3)3)
Show SMILES CC(C)(C)OC(=O)[C@H](CCN)NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
Show InChI InChI=1S/C14H29N7O5/c1-14(2,3)26-12(23)10(6-7-15)19-11(22)9(16)5-4-8-18-13(17)20-21(24)25/h9-10H,4-8,15-16H2,1-3H3,(H,19,22)(H3,17,18,20)/t9-,10-/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
1.02E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain nNOS (neuronal).


J Med Chem 43: 2938-45 (2000)


Article DOI: 10.1021/jm000127z
BindingDB Entry DOI: 10.7270/Q2NG4RBF
More data for this
Ligand-Target Pair