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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 248.1
BDBM26134
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Wt: 135.9
BDBM50067895
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Wt: 266.3
BDBM50138735
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Wt: 149.9
BDBM50364281
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Wt: 164.0
BDBM50364282
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Wt: 192.0
BDBM50364283
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Wt: 220.1
BDBM50364284
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Wt: 192.0
BDBM50364286
Wt: 248.1
BDBM50364287
Wt: 248.1
BDBM50364288
Wt: 246.1
BDBM50364289
Wt: 274.2
BDBM50364290
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Wt: 270.1
BDBM50364297
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Wt: 270.1
BDBM50364299
Wt: 259.2
BDBM50444145
Displayed 1 to 15 (of 70 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 72 hits in this display   
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
Beta-lactamase AmpC


(Escherichia coli)
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
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5.40E+3n/an/an/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli AmpC beta-lactamase.


J Med Chem 41: 4577-86 (1998)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
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9.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans recombinant Carbonic anhydrase preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 19: 2642-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.147
BindingDB Entry DOI: 10.7270/Q27D2V4T
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
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1.08E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 19: 2642-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.147
BindingDB Entry DOI: 10.7270/Q27D2V4T
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
PDB
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2.78E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 19: 2642-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.147
BindingDB Entry DOI: 10.7270/Q27D2V4T
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Rattus norvegicus (Rat))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay


J Med Chem 51: 6478-94 (2008)


Article DOI: 10.1021/jm800718k
BindingDB Entry DOI: 10.7270/Q23778KJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26134
PNG
((4-nonylphenyl)boranediol | Phenylboronic Acid, 13)
Show SMILES CCCCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
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n/an/a 9.10n/an/an/an/a7.437



University of Oxford



Assay Description
[3H]Ethanolamine produced from [3H]AEA hydrolysis was used to calculate FAAH activity and was measured by scintillation counting of the aqueous phase...


J Med Chem 51: 7057-60 (2008)


Article DOI: 10.1021/jm801051t
BindingDB Entry DOI: 10.7270/Q25D8Q58
More data for this
Ligand-Target Pair
Hormone sensitive lipase


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM26134
PNG
((4-nonylphenyl)boranediol | Phenylboronic Acid, 13)
Show SMILES CCCCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
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n/an/a 100n/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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364284
PNG
(CHEMBL1952297)
Show SMILES CCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C13H21BO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11,15-16H,2-7H2,1H3
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n/an/a 320n/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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364283
PNG
(CHEMBL1952296)
Show SMILES CCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3
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n/an/a 470n/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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM26134
PNG
((4-nonylphenyl)boranediol | Phenylboronic Acid, 13)
Show SMILES CCCCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
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n/an/a 1.00E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364283
PNG
(CHEMBL1952296)
Show SMILES CCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3
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n/an/a 1.00E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50444145
PNG
(CHEMBL3093405)
Show SMILES OC(=O)c1cc(ccc1NCC1CC1)C(F)(F)F
Show InChI InChI=1S/C12H12F3NO2/c13-12(14,15)8-3-4-10(9(5-8)11(17)18)16-6-7-1-2-7/h3-5,7,16H,1-2,6H2,(H,17,18)
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n/an/a 1.01E+3n/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
BindingDB Entry DOI: 10.7270/Q2P55PZ8
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364290
PNG
(CHEMBL1952303)
Show SMILES CCCCCc1ccc(cc1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C17H27BO2/c1-6-7-8-9-14-10-12-15(13-11-14)18-19-16(2,3)17(4,5)20-18/h10-13H,6-9H2,1-5H3
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n/an/a 1.10E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364297
PNG
(CHEMBL1952309)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)13-9-7-12(8-10-13)14-6-5-11-18-14/h5-11H,1-4H3
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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 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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM26134
PNG
((4-nonylphenyl)boranediol | Phenylboronic Acid, 13)
Show SMILES CCCCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
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n/an/a 1.40E+3n/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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364284
PNG
(CHEMBL1952297)
Show SMILES CCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C13H21BO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11,15-16H,2-7H2,1H3
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n/an/a 1.70E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364297
PNG
(CHEMBL1952309)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)13-9-7-12(8-10-13)14-6-5-11-18-14/h5-11H,1-4H3
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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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364282
PNG
(CHEMBL1952295)
Show SMILES CCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3
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n/an/a 2.00E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364290
PNG
(CHEMBL1952303)
Show SMILES CCCCCc1ccc(cc1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C17H27BO2/c1-6-7-8-9-14-10-12-15(13-11-14)18-19-16(2,3)17(4,5)20-18/h10-13H,6-9H2,1-5H3
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n/an/a 2.60E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364299
PNG
(CHEMBL1952311)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1ccoc1
Show InChI InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)14-7-5-12(6-8-14)13-9-10-18-11-13/h5-11H,1-4H3
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n/an/a 2.80E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364287
PNG
(CHEMBL1952300)
Show SMILES CCCCCCCCCc1cccc(c1)B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(13-14)16(17)18/h9,11-13,17-18H,2-8,10H2,1H3
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n/an/a 2.80E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364299
PNG
(CHEMBL1952311)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1ccoc1
Show InChI InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)14-7-5-12(6-8-14)13-9-10-18-11-13/h5-11H,1-4H3
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n/an/a 2.90E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26134
PNG
((4-nonylphenyl)boranediol | Phenylboronic Acid, 13)
Show SMILES CCCCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
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n/an/a 2.92E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH assessed as hydrolysis of [14C]AEA to [14C]Ethanolamine incubated for 30 mins by scintillation counting method


Bioorg Med Chem Lett 26: 1401-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.071
BindingDB Entry DOI: 10.7270/Q24F1SM9
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50364283
PNG
(CHEMBL1952296)
Show SMILES CCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3
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n/an/a 3.80E+3n/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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364282
PNG
(CHEMBL1952295)
Show SMILES CCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3
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n/an/a 4.00E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364287
PNG
(CHEMBL1952300)
Show SMILES CCCCCCCCCc1cccc(c1)B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(13-14)16(17)18/h9,11-13,17-18H,2-8,10H2,1H3
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n/an/a 5.00E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364289
PNG
(CHEMBL1952302)
Show SMILES CCCc1ccc(cc1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C15H23BO2/c1-6-7-12-8-10-13(11-9-12)16-17-14(2,3)15(4,5)18-16/h8-11H,6-7H2,1-5H3
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n/an/a 5.00E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364289
PNG
(CHEMBL1952302)
Show SMILES CCCc1ccc(cc1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C15H23BO2/c1-6-7-12-8-10-13(11-9-12)16-17-14(2,3)15(4,5)18-16/h8-11H,6-7H2,1-5H3
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n/an/a 6.00E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Hepatic Lipase (HL)


(Homo sapiens (Human))
BDBM50444145
PNG
(CHEMBL3093405)
Show SMILES OC(=O)c1cc(ccc1NCC1CC1)C(F)(F)F
Show InChI InChI=1S/C12H12F3NO2/c13-12(14,15)8-3-4-10(9(5-8)11(17)18)16-6-7-1-2-7/h3-5,7,16H,1-2,6H2,(H,17,18)
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n/an/a 6.40E+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)


Article DOI: 10.1016/j.bmc.2013.10.023
BindingDB Entry DOI: 10.7270/Q2P55PZ8
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (human))
BDBM26134
PNG
((4-nonylphenyl)boranediol | Phenylboronic Acid, 13)
Show SMILES CCCCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of Oxford



Assay Description
The endpoint enzymatic assay was developed to quantify human recombinant MGL activity with 2-AG. The formation of arachidonic acid and depletion of ...


J Med Chem 51: 7057-60 (2008)


Article DOI: 10.1021/jm801051t
BindingDB Entry DOI: 10.7270/Q25D8Q58
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50364282
PNG
(CHEMBL1952295)
Show SMILES CCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3
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n/an/a 8.00E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
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n/an/a 9.00E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50364281
PNG
(CHEMBL1952294)
Show SMILES CCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3
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n/an/a 9.00E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50364284
PNG
(CHEMBL1952297)
Show SMILES CCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C13H21BO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11,15-16H,2-7H2,1H3
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n/an/a 9.00E+3n/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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM26134
PNG
((4-nonylphenyl)boranediol | Phenylboronic Acid, 13)
Show SMILES CCCCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
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n/an/a 9.10E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 channel expressed in HEK293 cells assessed as inhibition of capsiacin-induced Ca2+ flux preincubated f...


Bioorg Med Chem Lett 26: 1401-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.071
BindingDB Entry DOI: 10.7270/Q24F1SM9
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50364297
PNG
(CHEMBL1952309)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)13-9-7-12(8-10-13)14-6-5-11-18-14/h5-11H,1-4H3
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n/an/a 9.60E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50444145
PNG
(CHEMBL3093405)
Show SMILES OC(=O)c1cc(ccc1NCC1CC1)C(F)(F)F
Show InChI InChI=1S/C12H12F3NO2/c13-12(14,15)8-3-4-10(9(5-8)11(17)18)16-6-7-1-2-7/h3-5,7,16H,1-2,6H2,(H,17,18)
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n/an/a>1.00E+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)


Article DOI: 10.1016/j.bmc.2013.10.023
BindingDB Entry DOI: 10.7270/Q2P55PZ8
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364288
PNG
(CHEMBL1952301)
Show SMILES CCCCCCCCCc1ccccc1B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16(17)18/h9-10,12-13,17-18H,2-8,11H2,1H3
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n/an/a 1.10E+4n/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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364281
PNG
(CHEMBL1952294)
Show SMILES CCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3
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n/an/a 1.10E+4n/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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50364282
PNG
(CHEMBL1952295)
Show SMILES CCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3
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n/an/a 1.25E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364286
PNG
(CHEMBL1952299)
Show SMILES CCCCCc1cccc(c1)B(O)O
Show InChI InChI=1S/C11H17BO2/c1-2-3-4-6-10-7-5-8-11(9-10)12(13)14/h5,7-9,13-14H,2-4,6H2,1H3
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n/an/a 1.28E+4n/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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50364299
PNG
(CHEMBL1952311)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)-c1ccoc1
Show InChI InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)14-7-5-12(6-8-14)13-9-10-18-11-13/h5-11H,1-4H3
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n/an/a 1.50E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50364283
PNG
(CHEMBL1952296)
Show SMILES CCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3
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n/an/a 1.50E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
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n/an/a 1.70E+4n/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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50364281
PNG
(CHEMBL1952294)
Show SMILES CCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3
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n/an/a 1.90E+4n/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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50364281
PNG
(CHEMBL1952294)
Show SMILES CCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3
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n/an/a 2.00E+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
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
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