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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 = 50128918   
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))
BDBM50128918
PNG
((3aR,9bS)-7-[(3-Chloro-benzylamino)-methyl]-2,3,3a...)
Show SMILES NC1=Nc2cc(CNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C20H22ClN3/c21-15-4-1-3-13(9-15)11-23-12-14-7-8-17-16-5-2-6-18(16)20(22)24-19(17)10-14/h1,3-4,7-10,16,18,23H,2,5-6,11-12H2,(H2,22,24)/t16-,18-/m1/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human (neuronal nitric oxide synthase) n-NOS


Bioorg Med Chem Lett 13: 1981-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00351-2
BindingDB Entry DOI: 10.7270/Q2FN16QG
More data for this
Ligand-Target Pair