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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelial lipase' and Ligand = 'BDBM50458638'   
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))
BDBM50458638
PNG
(CHEMBL4203395)
Show SMILES OC1=C(CN(CCOc2ccccc2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C22H22Cl2N2O4/c23-18-9-8-15(13-19(18)24)5-4-10-25-21(28)17-14-26(22(29)20(17)27)11-12-30-16-6-2-1-3-7-16/h1-3,6-9,13,27H,4-5,10-12,14H2,(H,25,28)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50458638
PNG
(CHEMBL4203395)
Show SMILES OC1=C(CN(CCOc2ccccc2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C22H22Cl2N2O4/c23-18-9-8-15(13-19(18)24)5-4-10-25-21(28)17-14-26(22(29)20(17)27)11-12-30-16-6-2-1-3-7-16/h1-3,6-9,13,27H,4-5,10-12,14H2,(H,25,28)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 826n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in human HT1080 cells using HDL as substrate pretreated for 10 mins followed by substrate addition and measured afte...


ACS Med Chem Lett 9: 673-678 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00138
BindingDB Entry DOI: 10.7270/Q2JS9T2R
More data for this
Ligand-Target Pair