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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 = 50115164   
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))
BDBM50115164
PNG
(4-(3-Trifluoromethyl-3H-diazirin-3-yl)-benzoic aci...)
Show SMILES Nc1nc(N)c2nc(COC(=O)c3ccc(cc3)C3(N=N3)C(F)(F)F)cnc2n1
Show InChI InChI=1S/C16H11F3N8O2/c17-16(18,19)15(26-27-15)8-3-1-7(2-4-8)13(28)29-6-9-5-22-12-10(23-9)11(20)24-14(21)25-12/h1-5H,6H2,(H4,20,21,22,24,25)
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PC sid
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Similars

Article
PubMed
n/an/a 1.40E+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