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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelial lipase' and Ligand = 'BDBM50506738'   
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))
BDBM50506738
PNG
(CHEMBL4558644)
Show SMILES Nc1c([nH]c(=O)[nH]c1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccc(OCc2ccccc2)cc1 |r,wU:12.12,15.19,(34.47,-21.76,;34.48,-23.3,;33.15,-24.08,;33.16,-25.62,;34.48,-26.38,;34.48,-27.92,;35.82,-25.62,;35.82,-24.08,;37.15,-23.3,;31.82,-23.32,;31.81,-21.78,;30.49,-24.09,;29.15,-23.33,;27.82,-24.11,;26.49,-23.33,;26.49,-21.79,;27.82,-21.03,;29.15,-21.79,;25.16,-21.03,;25.17,-19.49,;23.83,-18.71,;22.5,-19.49,;21.16,-18.72,;21.16,-17.18,;19.83,-16.41,;19.83,-14.88,;18.5,-14.1,;17.17,-14.88,;17.17,-16.43,;18.51,-17.18,;22.5,-21.04,;23.84,-21.79,)|
Show InChI InChI=1S/C24H26N4O4/c25-20-21(27-24(31)28-22(20)29)23(30)26-18-10-6-16(7-11-18)17-8-12-19(13-9-17)32-14-15-4-2-1-3-5-15/h1-5,8-9,12-13,16,18H,6-7,10-11,14,25H2,(H,26,30)(H2,27,28,29,31)/t16-,18+
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human endothelial lipase expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followe...


Bioorg Med Chem Lett 28: 3721-3725 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.022
BindingDB Entry DOI: 10.7270/Q2JS9TQ8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506738
PNG
(CHEMBL4558644)
Show SMILES Nc1c([nH]c(=O)[nH]c1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccc(OCc2ccccc2)cc1 |r,wU:12.12,15.19,(34.47,-21.76,;34.48,-23.3,;33.15,-24.08,;33.16,-25.62,;34.48,-26.38,;34.48,-27.92,;35.82,-25.62,;35.82,-24.08,;37.15,-23.3,;31.82,-23.32,;31.81,-21.78,;30.49,-24.09,;29.15,-23.33,;27.82,-24.11,;26.49,-23.33,;26.49,-21.79,;27.82,-21.03,;29.15,-21.79,;25.16,-21.03,;25.17,-19.49,;23.83,-18.71,;22.5,-19.49,;21.16,-18.72,;21.16,-17.18,;19.83,-16.41,;19.83,-14.88,;18.5,-14.1,;17.17,-14.88,;17.17,-16.43,;18.51,-17.18,;22.5,-21.04,;23.84,-21.79,)|
Show InChI InChI=1S/C24H26N4O4/c25-20-21(27-24(31)28-22(20)29)23(30)26-18-10-6-16(7-11-18)17-8-12-19(13-9-17)32-14-15-4-2-1-3-5-15/h1-5,8-9,12-13,16,18H,6-7,10-11,14,25H2,(H,26,30)(H2,27,28,29,31)/t16-,18+
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin) using D31-POPC-HDL as substrate after 2 hrs in presence of human serum by LC/MS analysis


Bioorg Med Chem Lett 28: 3721-3725 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.022
BindingDB Entry DOI: 10.7270/Q2JS9TQ8
More data for this
Ligand-Target Pair