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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Endothelial lipase' and Ligand = 'BDBM50521227'   
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))
BDBM50521227
PNG
(CHEMBL4473964)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(c1nnc(CNS(N)(=O)=O)o1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H24N6O7S3/c1-38-26(33)29-19-10-7-17(8-11-19)18-9-12-20-21(13-18)40-25(30-20)23(41(34,35)15-16-5-3-2-4-6-16)24-32-31-22(39-24)14-28-42(27,36)37/h2-13,23,28H,14-15H2,1H3,(H,29,33)(H2,27,36,37)
KEGG

UniProtKB/SwissProt

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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 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: 1263-1268 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00424
BindingDB Entry DOI: 10.7270/Q2TF01QC
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50521227
PNG
(CHEMBL4473964)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(c1nnc(CNS(N)(=O)=O)o1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H24N6O7S3/c1-38-26(33)29-19-10-7-17(8-11-19)18-9-12-20-21(13-18)40-25(30-20)23(41(34,35)15-16-5-3-2-4-6-16)24-32-31-22(39-24)14-28-42(27,36)37/h2-13,23,28H,14-15H2,1H3,(H,29,33)(H2,27,36,37)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/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: 1263-1268 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00424
BindingDB Entry DOI: 10.7270/Q2TF01QC
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50521227
PNG
(CHEMBL4473964)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(c1nnc(CNS(N)(=O)=O)o1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H24N6O7S3/c1-38-26(33)29-19-10-7-17(8-11-19)18-9-12-20-21(13-18)40-25(30-20)23(41(34,35)15-16-5-3-2-4-6-16)24-32-31-22(39-24)14-28-42(27,36)37/h2-13,23,28H,14-15H2,1H3,(H,29,33)(H2,27,36,37)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/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: 1263-1268 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00424
BindingDB Entry DOI: 10.7270/Q2TF01QC
More data for this
Ligand-Target Pair