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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 = 'BDBM50266601'   
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


(Homo sapiens (Human))
BDBM50266601
PNG
(CHEMBL4087425)
Show SMILES CCc1cc(CNC)cc(OCc2ccc3c(C)cc(N)nc3c2)c1
Show InChI InChI=1S/C21H25N3O/c1-4-15-8-17(12-23-3)10-18(9-15)25-13-16-5-6-19-14(2)7-21(22)24-20(19)11-16/h5-11,23H,4,12-13H2,1-3H3,(H2,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...


J Med Chem 60: 3958-3978 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00259
BindingDB Entry DOI: 10.7270/Q2RV0R5D
More data for this
Ligand-Target Pair