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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, endothelial' and Ligand = 'BDBM50403472'   
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, endothelial


(Bos taurus (bovine))		BDBM50403472
PNG
(CHEMBL4169004)
Show SMILES Cl.Cl.CC(C)C[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r|
Show InChI InChI=1S/C31H43N5O5/c1-18(2)9-25(35-30(41)36-31-14-19-10-20(15-31)12-21(11-19)16-31)29(40)34-26(28(39)32-8-7-27(37)38)13-22-17-33-24-6-4-3-5-23(22)24/h3-6,17-21,25-26,33H,7-16H2,1-2H3,(H,32,39)(H,34,40)(H,37,38)(H2,35,36,41)/t19?,20?,21?,25-,26+,31?/m0/s1
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PC cid
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Similars
Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



University of Chieti "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...

Eur J Med Chem 152: 53-64 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.027
BindingDB Entry DOI: 10.7270/Q2C2500M
More data for this
Ligand-Target Pair