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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 352.2
BDBM50364302

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
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))
BDBM50364302
PNG
(CHEMBL1952314)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C21H25BO4/c1-20(2)21(3,4)26-22(25-20)18-11-9-16(10-12-18)17-7-5-6-15(14-17)8-13-19(23)24/h5-7,9-12,14H,8,13H2,1-4H3,(H,23,24)
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.50E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase expressed using recombinant adenovirus using glycerol-tri[9,10(n)-3H]oleate after 1 hr by vesicle assay


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens (Human))
BDBM50364302
PNG
(CHEMBL1952314)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C21H25BO4/c1-20(2)21(3,4)26-22(25-20)18-11-9-16(10-12-18)17-7-5-6-15(14-17)8-13-19(23)24/h5-7,9-12,14H,8,13H2,1-4H3,(H,23,24)
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KEGG

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PC sid
UniChem
Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human lipoprotein lipase expressed using recombinant adenovirus using glycerol-tri[9,10(n)-3H]oleate after 1 hr by vesicle assay


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50364302
PNG
(CHEMBL1952314)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C21H25BO4/c1-20(2)21(3,4)26-22(25-20)18-11-9-16(10-12-18)17-7-5-6-15(14-17)8-13-19(23)24/h5-7,9-12,14H,8,13H2,1-4H3,(H,23,24)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase overexpressed in HUVEC cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substr...


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens (Human))
BDBM50364302
PNG
(CHEMBL1952314)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C21H25BO4/c1-20(2)21(3,4)26-22(25-20)18-11-9-16(10-12-18)17-7-5-6-15(14-17)8-13-19(23)24/h5-7,9-12,14H,8,13H2,1-4H3,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human lipoprotein lipase expressed in HEK293 cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substrate...


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair