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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 = 50115145   
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))
BDBM50115145
PNG
(Benzoic acid 2-amino-5-benzoyl-4-oxo-3,4,5,6,7,8-h...)
Show SMILES Nc1nc2NCC(COC(=O)c3ccccc3)N(C(=O)c3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1/C21H19N5O4/c22-21-24-17-16(18(27)25-21)26(19(28)13-7-3-1-4-8-13)15(11-23-17)12-30-20(29)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H4,22,23,24,25,27)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 1.72E+5n/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