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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelial lipase' and Ligand = 'BDBM204993'   
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))
BDBM204993
PNG
(US9249096, 1)
Show SMILES CN1CC(C(=O)NCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O |t:17|
Show InChI InChI=1S/C14H14Cl2N2O3/c1-18-7-9(12(19)14(18)21)13(20)17-5-4-8-2-3-10(15)11(16)6-8/h2-3,6,19H,4-5,7H2,1H3,(H,17,20)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 296n/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))
BDBM204993
PNG
(US9249096, 1)
Show SMILES CN1CC(C(=O)NCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O |t:17|
Show InChI InChI=1S/C14H14Cl2N2O3/c1-18-7-9(12(19)14(18)21)13(20)17-5-4-8-2-3-10(15)11(16)6-8/h2-3,6,19H,4-5,7H2,1H3,(H,17,20)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 528n/an/an/an/a8.037



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 uL of assay buffer (50 mM HEPES pH 8.0, 50 mM N...


US Patent US9249096 (2016)


BindingDB Entry DOI: 10.7270/Q2RX99X0
More data for this
Ligand-Target Pair