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BDBM50364298 CHEMBL1952310

SMILES: CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1cccs1

InChI Key: InChIKey=NPXXIOJSOCXPHL-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50364298   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endothelial lipase


(Homo sapiens (Human))
BDBM50364298
PNG
(CHEMBL1952310)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)13-9-7-12(8-10-13)14-6-5-11-20-14/h5-11H,1-4H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase expressed using recombinant adenovirus using glycerol-tri[9,10(n)-3H]oleate after 1 hr by vesicle assay


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens (Human))
BDBM50364298
PNG
(CHEMBL1952310)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)13-9-7-12(8-10-13)14-6-5-11-20-14/h5-11H,1-4H3
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human lipoprotein lipase expressed in HEK293 cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substrate...


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50364298
PNG
(CHEMBL1952310)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)13-9-7-12(8-10-13)14-6-5-11-20-14/h5-11H,1-4H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase overexpressed in HUVEC cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substr...


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens (Human))
BDBM50364298
PNG
(CHEMBL1952310)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)13-9-7-12(8-10-13)14-6-5-11-20-14/h5-11H,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human lipoprotein lipase expressed using recombinant adenovirus using glycerol-tri[9,10(n)-3H]oleate after 1 hr by vesicle assay


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
More data for this
Ligand-Target Pair