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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 = 50115127   
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))
BDBM50115127
PNG
(CHEMBL101598 | N-(4-Isobutyrylamino-6,7-diphenyl-p...)
Show SMILES CC(C)C(=O)Nc1nc(NC(=O)C(C)C)c2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
Show InChI InChI=1S/C26H26N6O2/c1-15(2)24(33)29-23-21-22(30-26(31-23)32-25(34)16(3)4)28-20(18-13-9-6-10-14-18)19(27-21)17-11-7-5-8-12-17/h5-16H,1-4H3,(H2,28,29,30,31,32,33,34)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 9.40E+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