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BDBM50364300 CHEMBL1952312

SMILES: CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1ccsc1

InChI Key: InChIKey=XKGSZASBTMAIMT-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 = 50364300   
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))
BDBM50364300
PNG
(CHEMBL1952312)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)14-7-5-12(6-8-14)13-9-10-20-11-13/h5-11H,1-4H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+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))
BDBM50364300
PNG
(CHEMBL1952312)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)14-7-5-12(6-8-14)13-9-10-20-11-13/h5-11H,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+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))
BDBM50364300
PNG
(CHEMBL1952312)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)14-7-5-12(6-8-14)13-9-10-20-11-13/h5-11H,1-4H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+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))
BDBM50364300
PNG
(CHEMBL1952312)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)14-7-5-12(6-8-14)13-9-10-20-11-13/h5-11H,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+4n/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