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BDBM50444147 CHEMBL3093396

SMILES: OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCCOCc1ccccc1)C(F)(F)F

InChI Key: InChIKey=AAPFSKSRMZARSC-KRWDZBQOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50444147   
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))
BDBM50444147
PNG
(CHEMBL3093396)
Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCCOCc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3NO4/c22-21(23,24)16-6-7-19(18(12-16)20(26)27)25-9-8-17(13-25)29-11-10-28-14-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,26,27)/t17-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...


Bioorg Med Chem 21: 7724-34 (2013)


Article DOI: 10.1016/j.bmc.2013.10.023
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens (Human))
BDBM50444147
PNG
(CHEMBL3093396)
Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCCOCc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3NO4/c22-21(23,24)16-6-7-19(18(12-16)20(26)27)25-9-8-17(13-25)29-11-10-28-14-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,26,27)/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human lipoprotein lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by...


Bioorg Med Chem 21: 7724-34 (2013)


Article DOI: 10.1016/j.bmc.2013.10.023
More data for this
Ligand-Target Pair