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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 = 50115171   
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))
BDBM50115171
PNG
(6-(1,2-Dibromo-2-phenyl-vinyl)-4-pentyloxy-pteridi...)
Show SMILES CCCCCOc1nc(N)nc2ncc(nc12)C(\Br)=C(/Br)c1ccccc1
Show InChI InChI=1S/C19H19Br2N5O/c1-2-3-7-10-27-18-16-17(25-19(22)26-18)23-11-13(24-16)15(21)14(20)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,22,23,25,26)/b15-14+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (NOS-I)


J Med Chem 45: 2923-41 (2002)


Article DOI: 10.1021/jm020074g
BindingDB Entry DOI: 10.7270/Q2571BBK
More data for this
Ligand-Target Pair