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BDBM50444138 CHEMBL3093392

SMILES: OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F

InChI Key: InChIKey=NBGRERFNOKZQLO-AWEZNQCLSA-N

Data: 5 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 5 hits for monomerid = 50444138   
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 (EL)


(Homo sapiens (Human))
BDBM50444138
PNG
(CHEMBL3093392)
Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1
KEGG

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n/an/a 250n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of full length human endothelial lipase transfected in HEK293 cells using PED-A1 as substrate preincubated for 30 mins followed by substra...


Bioorg Med Chem 21: 7724-34 (2013)

More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50444138
PNG
(CHEMBL3093392)
Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
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PubMed
n/an/a 110n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase using HDL as substrate assessed as release of free fatty acids preincubated for 30 mins followed by substrate ...


Bioorg Med Chem 21: 7724-34 (2013)

More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50444138
PNG
(CHEMBL3093392)
Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1
KEGG

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antibodypedia
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CHEMBL
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PubMed
n/an/a 237n/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)

More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50444138
PNG
(CHEMBL3093392)
Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1
Reactome pathway
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n/an/a 2.00E+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)

More data for this
Ligand-Target Pair
Hepatic Lipase (HL)


(Homo sapiens (Human))
BDBM50444138
PNG
(CHEMBL3093392)
Show SMILES OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.50E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc

Curated by ChEMBL


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


Bioorg Med Chem 21: 7724-34 (2013)

More data for this
Ligand-Target Pair