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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 50007119   
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
Endothelial lipase


(Homo sapiens (Human))
BDBM50506504
PNG
(CHEMBL4460663)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C19H13FN6O5S2/c20-12-5-13-14(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)32-19(24-13)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506498
PNG
(CHEMBL4581886)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C19H13FN6O5S2/c20-12-5-14-13(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)24-19(32-14)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506506
PNG
(CHEMBL4465833)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C14H10F4N6O5S2/c15-6-2-7-8(1-5(6)11(26)20-4-14(16,17)18)30-13(22-7)10(25)12-24-23-9(29-12)3-21-31(19,27)28/h1-2,21H,3-4H2,(H,20,26)(H2,19,27,28)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506505
PNG
(CHEMBL4460376)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc(cc1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C20H14F4N6O5S2/c21-12-6-14-13(5-11(12)9-1-3-10(4-2-9)17(32)26-8-20(22,23)24)28-19(36-14)16(31)18-30-29-15(35-18)7-27-37(25,33)34/h1-6,27H,7-8H2,(H,26,32)(H2,25,33,34)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506501
PNG
(CHEMBL4563019)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc(C(=O)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C22H18F2N6O6S2/c23-14-7-11(1-2-12(14)22(32)30-3-5-35-6-4-30)13-8-17-16(9-15(13)24)27-21(37-17)19(31)20-29-28-18(36-20)10-26-38(25,33)34/h1-2,7-9,26H,3-6,10H2,(H2,25,33,34)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506500
PNG
(CHEMBL4471611)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc(F)nc1
Show InChI InChI=1S/C16H10F2N6O4S2/c17-9-4-10-11(3-8(9)7-1-2-12(18)20-5-7)29-16(22-10)14(25)15-24-23-13(28-15)6-21-30(19,26)27/h1-5,21H,6H2,(H2,19,26,27)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50506499
PNG
(CHEMBL4463265)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C17H13N5O4S2/c18-28(24,25)19-9-14-21-22-16(26-14)15(23)17-20-12-7-6-11(8-13(12)27-17)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,18,24,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM187287
PNG
(US9169240, 27)
Show SMILES CN(Cc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O4S2/c1-23(29(19,25)26)10-15-21-22-17(27-15)16(24)18-20-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,19,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50506506
PNG
(CHEMBL4465833)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C14H10F4N6O5S2/c15-6-2-7-8(1-5(6)11(26)20-4-14(16,17)18)30-13(22-7)10(25)12-24-23-9(29-12)3-21-31(19,27)28/h1-2,21H,3-4H2,(H,20,26)(H2,19,27,28)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50506505
PNG
(CHEMBL4460376)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc(cc1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C20H14F4N6O5S2/c21-12-6-14-13(5-11(12)9-1-3-10(4-2-9)17(32)26-8-20(22,23)24)28-19(36-14)16(31)18-30-29-15(35-18)7-27-37(25,33)34/h1-6,27H,7-8H2,(H,26,32)(H2,25,33,34)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM187290
PNG
(US9169240, 30)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(CNS(N)(=O)=O)o1
Show InChI InChI=1S/C19H16N6O6S2/c1-30-19(27)22-12-5-2-10(3-6-12)11-4-7-13-14(8-11)32-18(23-13)16(26)17-25-24-15(31-17)9-21-33(20,28)29/h2-8,21H,9H2,1H3,(H,22,27)(H2,20,28,29)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506499
PNG
(CHEMBL4463265)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C17H13N5O4S2/c18-28(24,25)19-9-14-21-22-16(26-14)15(23)17-20-12-7-6-11(8-13(12)27-17)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,18,24,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50506500
PNG
(CHEMBL4471611)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc(F)nc1
Show InChI InChI=1S/C16H10F2N6O4S2/c17-9-4-10-11(3-8(9)7-1-2-12(18)20-5-7)29-16(22-10)14(25)15-24-23-13(28-15)6-21-30(19,26)27/h1-5,21H,6H2,(H2,19,26,27)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM187289
PNG
(US9169240, 29)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN5O4S2/c18-11-4-1-9(2-5-11)10-3-6-12-13(7-10)28-17(21-12)15(24)16-23-22-14(27-16)8-20-29(19,25)26/h1-7,20H,8H2,(H2,19,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50506497
PNG
(CHEMBL4446812)
Show SMILES CNS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C18H15N5O4S2/c1-19-29(25,26)20-10-15-22-23-17(27-15)16(24)18-21-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-9,19-20H,10H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM187310
PNG
(US9169240, 49)
Show SMILES NC(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C18H13N5O3S/c19-18(25)20-9-14-22-23-16(26-14)15(24)17-21-12-7-6-11(8-13(12)27-17)10-4-2-1-3-5-10/h1-8H,9H2,(H3,19,20,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187290
PNG
(US9169240, 30)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(CNS(N)(=O)=O)o1
Show InChI InChI=1S/C19H16N6O6S2/c1-30-19(27)22-12-5-2-10(3-6-12)11-4-7-13-14(8-11)32-18(23-13)16(26)17-25-24-15(31-17)9-21-33(20,28)29/h2-8,21H,9H2,1H3,(H,22,27)(H2,20,28,29)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187289
PNG
(US9169240, 29)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN5O4S2/c18-11-4-1-9(2-5-11)10-3-6-12-13(7-10)28-17(21-12)15(24)16-23-22-14(27-16)8-20-29(19,25)26/h1-7,20H,8H2,(H2,19,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506502
PNG
(CHEMBL4575712)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc2CNC(=O)c2c1
Show InChI InChI=1S/C19H14N6O5S2/c20-32(28,29)22-8-15-24-25-18(30-15)16(26)19-23-13-4-3-10(6-14(13)31-19)9-1-2-11-7-21-17(27)12(11)5-9/h1-6,22H,7-8H2,(H,21,27)(H2,20,28,29)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50506504
PNG
(CHEMBL4460663)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C19H13FN6O5S2/c20-12-5-13-14(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)32-19(24-13)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506497
PNG
(CHEMBL4446812)
Show SMILES CNS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C18H15N5O4S2/c1-19-29(25,26)20-10-15-22-23-17(27-15)16(24)18-21-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-9,19-20H,10H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506501
PNG
(CHEMBL4563019)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc(C(=O)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C22H18F2N6O6S2/c23-14-7-11(1-2-12(14)22(32)30-3-5-35-6-4-30)13-8-17-16(9-15(13)24)27-21(37-17)19(31)20-29-28-18(36-20)10-26-38(25,33)34/h1-2,7-9,26H,3-6,10H2,(H2,25,33,34)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506500
PNG
(CHEMBL4471611)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc(F)nc1
Show InChI InChI=1S/C16H10F2N6O4S2/c17-9-4-10-11(3-8(9)7-1-2-12(18)20-5-7)29-16(22-10)14(25)15-24-23-13(28-15)6-21-30(19,26)27/h1-5,21H,6H2,(H2,19,26,27)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50506498
PNG
(CHEMBL4581886)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C19H13FN6O5S2/c20-12-5-14-13(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)24-19(32-14)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187287
PNG
(US9169240, 27)
Show SMILES CN(Cc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O4S2/c1-23(29(19,25)26)10-15-21-22-17(27-15)16(24)18-20-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,19,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50506503
PNG
(CHEMBL4475891)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc(F)nc1
Show InChI InChI=1S/C16H11FN6O4S2/c17-12-4-2-9(6-19-12)8-1-3-10-11(5-8)28-16(21-10)14(24)15-23-22-13(27-15)7-20-29(18,25)26/h1-6,20H,7H2,(H2,18,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM187286
PNG
(US9169240, 26)
Show SMILES C[C@H](NS(N)(=O)=O)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H15N5O4S2/c1-10(23-29(19,25)26)16-21-22-17(27-16)15(24)18-20-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-10,23H,1H3,(H2,19,25,26)/t10-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50506502
PNG
(CHEMBL4575712)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc2CNC(=O)c2c1
Show InChI InChI=1S/C19H14N6O5S2/c20-32(28,29)22-8-15-24-25-18(30-15)16(26)19-23-13-4-3-10(6-14(13)31-19)9-1-2-11-7-21-17(27)12(11)5-9/h1-6,22H,7-8H2,(H,21,27)(H2,20,28,29)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506503
PNG
(CHEMBL4475891)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc(F)nc1
Show InChI InChI=1S/C16H11FN6O4S2/c17-12-4-2-9(6-19-12)8-1-3-10-11(5-8)28-16(21-10)14(24)15-23-22-13(27-15)7-20-29(18,25)26/h1-6,20H,7H2,(H2,18,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187310
PNG
(US9169240, 49)
Show SMILES NC(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C18H13N5O3S/c19-18(25)20-9-14-22-23-16(26-14)15(24)17-21-12-7-6-11(8-13(12)27-17)10-4-2-1-3-5-10/h1-8H,9H2,(H3,19,20,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506503
PNG
(CHEMBL4475891)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc(F)nc1
Show InChI InChI=1S/C16H11FN6O4S2/c17-12-4-2-9(6-19-12)8-1-3-10-11(5-8)28-16(21-10)14(24)15-23-22-13(27-15)7-20-29(18,25)26/h1-6,20H,7H2,(H2,18,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506498
PNG
(CHEMBL4581886)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C19H13FN6O5S2/c20-12-5-14-13(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)24-19(32-14)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50506501
PNG
(CHEMBL4563019)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc(C(=O)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C22H18F2N6O6S2/c23-14-7-11(1-2-12(14)22(32)30-3-5-35-6-4-30)13-8-17-16(9-15(13)24)27-21(37-17)19(31)20-29-28-18(36-20)10-26-38(25,33)34/h1-2,7-9,26H,3-6,10H2,(H2,25,33,34)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506506
PNG
(CHEMBL4465833)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C14H10F4N6O5S2/c15-6-2-7-8(1-5(6)11(26)20-4-14(16,17)18)30-13(22-7)10(25)12-24-23-9(29-12)3-21-31(19,27)28/h1-2,21H,3-4H2,(H,20,26)(H2,19,27,28)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506499
PNG
(CHEMBL4463265)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C17H13N5O4S2/c18-28(24,25)19-9-14-21-22-16(26-14)15(23)17-20-12-7-6-11(8-13(12)27-17)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,18,24,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of mouse plasma by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506504
PNG
(CHEMBL4460663)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C19H13FN6O5S2/c20-12-5-13-14(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)32-19(24-13)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM187285
PNG
(US9169240, 25)
Show SMILES C[C@@H](NS(N)(=O)=O)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H15N5O4S2/c1-10(23-29(19,25)26)16-21-22-17(27-16)15(24)18-20-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-10,23H,1H3,(H2,19,25,26)/t10-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187285
PNG
(US9169240, 25)
Show SMILES C[C@@H](NS(N)(=O)=O)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H15N5O4S2/c1-10(23-29(19,25)26)16-21-22-17(27-16)15(24)18-20-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-10,23H,1H3,(H2,19,25,26)/t10-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506497
PNG
(CHEMBL4446812)
Show SMILES CNS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C18H15N5O4S2/c1-19-29(25,26)20-10-15-22-23-17(27-15)16(24)18-21-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-9,19-20H,10H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506499
PNG
(CHEMBL4463265)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C17H13N5O4S2/c18-28(24,25)19-9-14-21-22-16(26-14)15(23)17-20-12-7-6-11(8-13(12)27-17)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,18,24,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Mus musculus (Mouse))
BDBM50506504
PNG
(CHEMBL4460663)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C19H13FN6O5S2/c20-12-5-13-14(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)32-19(24-13)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in hepatic lipase knock-out mouse plasma


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Mus musculus (Mouse))
BDBM50506505
PNG
(CHEMBL4460376)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc(cc1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C20H14F4N6O5S2/c21-12-6-14-13(5-11(12)9-1-3-10(4-2-9)17(32)26-8-20(22,23)24)28-19(36-14)16(31)18-30-29-15(35-18)7-27-37(25,33)34/h1-6,27H,7-8H2,(H,26,32)(H2,25,33,34)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in hepatic lipase knock-out mouse plasma


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Mus musculus (Mouse))
BDBM50506498
PNG
(CHEMBL4581886)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc2C(=O)NCc2c1
Show InChI InChI=1S/C19H13FN6O5S2/c20-12-5-14-13(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)24-19(32-14)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in hepatic lipase knock-out mouse plasma


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Mus musculus (Mouse))
BDBM50506506
PNG
(CHEMBL4465833)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C14H10F4N6O5S2/c15-6-2-7-8(1-5(6)11(26)20-4-14(16,17)18)30-13(22-7)10(25)12-24-23-9(29-12)3-21-31(19,27)28/h1-2,21H,3-4H2,(H,20,26)(H2,19,27,28)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase in hepatic lipase knock-out mouse plasma


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187285
PNG
(US9169240, 25)
Show SMILES C[C@@H](NS(N)(=O)=O)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H15N5O4S2/c1-10(23-29(19,25)26)16-21-22-17(27-16)15(24)18-20-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-10,23H,1H3,(H2,19,25,26)/t10-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of mouse plasma by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187289
PNG
(US9169240, 29)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN5O4S2/c18-11-4-1-9(2-5-11)10-3-6-12-13(7-10)28-17(21-12)15(24)16-23-22-14(27-16)8-20-29(19,25)26/h1-7,20H,8H2,(H2,19,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of mouse plasma by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187289
PNG
(US9169240, 29)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN5O4S2/c18-11-4-1-9(2-5-11)10-3-6-12-13(7-10)28-17(21-12)15(24)16-23-22-14(27-16)8-20-29(19,25)26/h1-7,20H,8H2,(H2,19,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187286
PNG
(US9169240, 26)
Show SMILES C[C@H](NS(N)(=O)=O)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H15N5O4S2/c1-10(23-29(19,25)26)16-21-22-17(27-16)15(24)18-20-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-10,23H,1H3,(H2,19,25,26)/t10-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50506505
PNG
(CHEMBL4460376)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc(cc1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C20H14F4N6O5S2/c21-12-6-14-13(5-11(12)9-1-3-10(4-2-9)17(32)26-8-20(22,23)24)28-19(36-14)16(31)18-30-29-15(35-18)7-27-37(25,33)34/h1-6,27H,7-8H2,(H,26,32)(H2,25,33,34)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187290
PNG
(US9169240, 30)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(CNS(N)(=O)=O)o1
Show InChI InChI=1S/C19H16N6O6S2/c1-30-19(27)22-12-5-2-10(3-6-12)11-4-7-13-14(8-11)32-18(23-13)16(26)17-25-24-15(31-17)9-21-33(20,28)29/h2-8,21H,9H2,1H3,(H,22,27)(H2,20,28,29)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
BindingDB Entry DOI: 10.7270/Q28G8PZS
More data for this
Ligand-Target Pair
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