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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 = 50115124   
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))
BDBM50115124
PNG
(3-(4-Benzoyl-phenyl)-propionic acid 2,4-diamino-5,...)
Show SMILES Nc1nc(N)c2NC(COC(=O)CCc3ccc(cc3)C(=O)c3ccccc3)CNc2n1
Show InChI InChI=1/C23H24N6O3/c24-21-19-22(29-23(25)28-21)26-12-17(27-19)13-32-18(30)11-8-14-6-9-16(10-7-14)20(31)15-4-2-1-3-5-15/h1-7,9-10,17,27H,8,11-13H2,(H5,24,25,26,28,29)
PDB
MMDB

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B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+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