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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 Ligand = 'BDBM50115132'   
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))
BDBM50115132
PNG
(CHEMBL102198 | N-{5-[3-(4-Benzoyl-phenyl)-propiony...)
Show SMILES CC(C)C(=O)Nc1nc2NCCN(C(=O)CCc3ccc(cc3)C(=O)c3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1S/C26H27N5O4/c1-16(2)24(34)29-26-28-23-21(25(35)30-26)31(15-14-27-23)20(32)13-10-17-8-11-19(12-9-17)22(33)18-6-4-3-5-7-18/h3-9,11-12,16H,10,13-15H2,1-2H3,(H3,27,28,29,30,34,35)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+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