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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Endothelial lipase' and Ligand = 'BDBM50444138'   
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
Endothelial lipase


(Homo sapiens (Human))
BDBM50444138
PNG
(CHEMBL3093392)
Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F |r|
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1
KEGG

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MCE
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase using HDL as substrate assessed as release of free fatty acids preincubated for 30 mins followed by substrate ...


Bioorg Med Chem 21: 7724-34 (2013)


Article DOI: 10.1016/j.bmc.2013.10.023
BindingDB Entry DOI: 10.7270/Q2P55PZ8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50444138
PNG
(CHEMBL3093392)
Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F |r|
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 237n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...


Bioorg Med Chem 21: 7724-34 (2013)


Article DOI: 10.1016/j.bmc.2013.10.023
BindingDB Entry DOI: 10.7270/Q2P55PZ8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50444138
PNG
(CHEMBL3093392)
Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F |r|
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of full length human endothelial lipase transfected in HEK293 cells using PED-A1 as substrate preincubated for 30 mins followed by substra...


Bioorg Med Chem 21: 7724-34 (2013)


Article DOI: 10.1016/j.bmc.2013.10.023
BindingDB Entry DOI: 10.7270/Q2P55PZ8
More data for this
Ligand-Target Pair