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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelial lipase' and Ligand = 'BDBM50506502'   
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))
BDBM50506502
PNG
(CHEMBL4575712)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc2CNC(=O)c2c1
Show InChI InChI=1S/C19H14N6O5S2/c20-32(28,29)22-8-15-24-25-18(30-15)16(26)19-23-13-4-3-10(6-14(13)31-19)9-1-2-11-7-21-17(27)12(11)5-9/h1-6,22H,7-8H2,(H,21,27)(H2,20,28,29)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506502
PNG
(CHEMBL4575712)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc2CNC(=O)c2c1
Show InChI InChI=1S/C19H14N6O5S2/c20-32(28,29)22-8-15-24-25-18(30-15)16(26)19-23-13-4-3-10(6-14(13)31-19)9-1-2-11-7-21-17(27)12(11)5-9/h1-6,22H,7-8H2,(H,21,27)(H2,20,28,29)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair