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Compile Data Set for Download or QSAR

Found 418 hits of ic50 data for polymerid = 6935   
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
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151423
PNG
(US8987314, B234)
Show SMILES COCCS(=O)(=O)C(C(=O)NCc1cc(C)no1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C23H23N3O5S2/c1-15-12-18(31-26-15)14-24-22(27)21(33(28,29)11-10-30-2)23-25-19-9-8-17(13-20(19)32-23)16-6-4-3-5-7-16/h3-9,12-13,21H,10-11,14H2,1-2H3,(H,24,27)
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n/an/a 0.5n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151421
PNG
(US8987314, B232)
Show SMILES COCCS(=O)(=O)C(C(=O)NCc1cc(no1)C(C)C)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C25H27N3O5S2/c1-16(2)21-14-19(33-28-21)15-26-24(29)23(35(30,31)12-11-32-3)25-27-20-10-9-18(13-22(20)34-25)17-7-5-4-6-8-17/h4-10,13-14,16,23H,11-12,15H2,1-3H3,(H,26,29)
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n/an/a 0.800n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50525871
PNG
(CHEMBL4460999)
Show SMILES O=C(CNC(=O)C(C#N)c1nc2ccc(cc2s1)-c1ccc(NC(=O)OCc2ccccc2)cc1)NC1CC1
Show InChI InChI=1S/C29H25N5O4S/c30-15-23(27(36)31-16-26(35)32-21-11-12-21)28-34-24-13-8-20(14-25(24)39-28)19-6-9-22(10-7-19)33-29(37)38-17-18-4-2-1-3-5-18/h1-10,13-14,21,23H,11-12,16-17H2,(H,31,36)(H,32,35)(H,33,37)
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of hepatic lipase (unknown origin)


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126673
BindingDB Entry DOI: 10.7270/Q2DN48G0
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151465
PNG
(US8987314, B276)
Show SMILES CC(C)(C)OC(=O)c1ccc(cc1)-c1ccc2nc(sc2c1)C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C29H31N3O7S3/c1-29(2,3)39-28(34)21-11-9-20(10-12-21)22-13-14-23-24(17-22)40-27(32-23)25(26(33)31-15-16-42(30,37)38)41(35,36)18-19-7-5-4-6-8-19/h4-14,17,25H,15-16,18H2,1-3H3,(H,31,33)(H2,30,37,38)
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n/an/a 0.800n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151397
PNG
(US8987314, B208)
Show SMILES CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(cc2s1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H18ClN3O5S3/c1-29(24,25)16(17(23)21-7-8-30(20,26)27)18-22-14-6-5-12(10-15(14)28-18)11-3-2-4-13(19)9-11/h2-6,9-10,16H,7-8H2,1H3,(H,21,23)(H2,20,26,27)
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n/an/a 0.800n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151266
PNG
(US8987314, B62)
Show SMILES CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(cc2s1)-c1cccc(c1)N1CCCC1
Show InChI InChI=1S/C22H26N4O5S3/c1-33(28,29)20(21(27)24-9-12-34(23,30)31)22-25-18-8-7-16(14-19(18)32-22)15-5-4-6-17(13-15)26-10-2-3-11-26/h4-8,13-14,20H,2-3,9-12H2,1H3,(H,24,27)(H2,23,30,31)
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n/an/a 1n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151494
PNG
(US8987314, B305)
Show SMILES CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(cc2s1)-c1ccccc1F
Show InChI InChI=1S/C18H18FN3O5S3/c1-29(24,25)16(17(23)21-8-9-30(20,26)27)18-22-14-7-6-11(10-15(14)28-18)12-4-2-3-5-13(12)19/h2-7,10,16H,8-9H2,1H3,(H,21,23)(H2,20,26,27)
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n/an/a 1n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151441
PNG
(US8987314, B252)
Show SMILES CC(C)c1cc(CNC(=O)C(c2nc3ccc(cc3s2)-c2ccccc2)S(C)(=O)=O)on1
Show InChI InChI=1S/C23H23N3O4S2/c1-14(2)19-12-17(30-26-19)13-24-22(27)21(32(3,28)29)23-25-18-10-9-16(11-20(18)31-23)15-7-5-4-6-8-15/h4-12,14,21H,13H2,1-3H3,(H,24,27)
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n/an/a 1.40n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151496
PNG
(US8987314, B307)
Show SMILES NS(=O)(=O)CCNC(=O)C(c1nc2ccc(cc2s1)-c1ccccc1F)S(=O)(=O)CCC(F)(F)F
Show InChI InChI=1S/C20H19F4N3O5S3/c21-14-4-2-1-3-13(14)12-5-6-15-16(11-12)33-19(27-15)17(18(28)26-8-10-35(25,31)32)34(29,30)9-7-20(22,23)24/h1-6,11,17H,7-10H2,(H,26,28)(H2,25,31,32)
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n/an/a 1.5n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151268
PNG
(US8987314, B64)
Show SMILES COCCOC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C22H26N4O8S3/c1-33-10-11-34-22(28)25-16-6-3-14(4-7-16)15-5-8-17-18(13-15)35-21(26-17)19(36(2,29)30)20(27)24-9-12-37(23,31)32/h3-8,13,19H,9-12H2,1-2H3,(H,24,27)(H,25,28)(H2,23,31,32)
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n/an/a 1.90n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151399
PNG
(US8987314, B210)
Show SMILES CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(cc2s1)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C24H23N3O6S3/c1-35(29,30)22(23(28)26-12-13-36(25,31)32)24-27-20-11-10-17(15-21(20)34-24)16-6-5-9-19(14-16)33-18-7-3-2-4-8-18/h2-11,14-15,22H,12-13H2,1H3,(H,26,28)(H2,25,31,32)
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n/an/a 1.90n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
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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n/an/a 2n/an/an/an/an/an/a



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))
BDBM151554
PNG
(US8987314, B365)
Show SMILES NS(=O)(=O)CCNC(=O)C(c1nc2ccc(cc2s1)-c1ccccc1F)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H21F4N3O6S3/c26-19-4-2-1-3-18(19)16-7-10-20-21(13-16)39-24(32-20)22(23(33)31-11-12-41(30,36)37)40(34,35)14-15-5-8-17(9-6-15)38-25(27,28)29/h1-10,13,22H,11-12,14H2,(H,31,33)(H2,30,36,37)
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n/an/a 2.10n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151292
PNG
(US8987314, B88)
Show SMILES COc1cc(ccn1)-c1ccc2sc(nc2c1)C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C18H20N4O6S3/c1-28-15-10-12(5-6-20-15)11-3-4-14-13(9-11)22-18(29-14)16(30(2,24)25)17(23)21-7-8-31(19,26)27/h3-6,9-10,16H,7-8H2,1-2H3,(H,21,23)(H2,19,26,27)
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n/an/a 2.20n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151432
PNG
(US8987314, B243)
Show SMILES NS(=O)(=O)CCNC(=O)C(c1nc2ccc(cc2s1)-c1cccc(Cl)c1)S(=O)(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C24H21ClFN3O5S3/c25-18-3-1-2-16(12-18)17-6-9-20-21(13-17)35-24(29-20)22(23(30)28-10-11-37(27,33)34)36(31,32)14-15-4-7-19(26)8-5-15/h1-9,12-13,22H,10-11,14H2,(H,28,30)(H2,27,33,34)
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n/an/a 2.40n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151267
PNG
(US8987314, B63)
Show SMILES COCc1ccc(cc1)-c1ccc2nc(sc2c1)C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C20H23N3O6S3/c1-29-12-13-3-5-14(6-4-13)15-7-8-16-17(11-15)30-20(23-16)18(31(2,25)26)19(24)22-9-10-32(21,27)28/h3-8,11,18H,9-10,12H2,1-2H3,(H,22,24)(H2,21,27,28)
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n/an/a 2.60n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151291
PNG
(US8987314, B87)
Show SMILES COc1ccc(cn1)-c1ccc2sc(nc2c1)C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C18H20N4O6S3/c1-28-15-6-4-12(10-21-15)11-3-5-14-13(9-11)22-18(29-14)16(30(2,24)25)17(23)20-7-8-31(19,26)27/h3-6,9-10,16H,7-8H2,1-2H3,(H,20,23)(H2,19,26,27)
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n/an/a 2.60n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151473
PNG
(US8987314, B284)
Show SMILES NS(=O)(=O)CCNC(=O)C(c1nc2ccc(cc2s1)-c1ccccc1)S(=O)(=O)CCC(F)(F)F
Show InChI InChI=1S/C20H20F3N3O5S3/c21-20(22,23)8-10-33(28,29)17(18(27)25-9-11-34(24,30)31)19-26-15-7-6-14(12-16(15)32-19)13-4-2-1-3-5-13/h1-7,12,17H,8-11H2,(H,25,27)(H2,24,30,31)
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n/an/a 2.60n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151468
PNG
(US8987314, B279)
Show SMILES Cc1nnc(CNC(=O)C(c2nc3ccc(cc3s2)-c2ccc(cc2)C(=O)OC(C)(C)C)S(C)(=O)=O)s1
Show InChI InChI=1S/C25H26N4O5S3/c1-14-28-29-20(35-14)13-26-22(30)21(37(5,32)33)23-27-18-11-10-17(12-19(18)36-23)15-6-8-16(9-7-15)24(31)34-25(2,3)4/h6-12,21H,13H2,1-5H3,(H,26,30)
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n/an/a 2.80n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151396
PNG
(US8987314, B207)
Show SMILES CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(cc2s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN3O5S3/c1-29(24,25)16(17(23)21-8-9-30(20,26)27)18-22-14-7-4-12(10-15(14)28-18)11-2-5-13(19)6-3-11/h2-7,10,16H,8-9H2,1H3,(H,21,23)(H2,20,26,27)
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n/an/a 2.80n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151409
PNG
(US8987314, B220)
Show SMILES CC(C)(C)OC(=O)n1ccc(c1)-c1ccc2nc(sc2c1)C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C21H26N4O7S3/c1-21(2,3)32-20(27)25-9-7-14(12-25)13-5-6-15-16(11-13)33-19(24-15)17(34(4,28)29)18(26)23-8-10-35(22,30)31/h5-7,9,11-12,17H,8,10H2,1-4H3,(H,23,26)(H2,22,30,31)
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n/an/a 2.80n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151469
PNG
(US8987314, B280)
Show SMILES CC(C)S(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2c(F)cc(cc2s1)-c1cccc(c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H30FN3O7S3/c1-14(2)39(34,35)21(22(30)28-9-10-38(27,32)33)23-29-20-18(26)12-17(13-19(20)37-23)15-7-6-8-16(11-15)24(31)36-25(3,4)5/h6-8,11-14,21H,9-10H2,1-5H3,(H,28,30)(H2,27,32,33)
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n/an/a 2.90n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
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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n/an/a 3n/an/an/an/an/an/a



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))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by subs...


ACS Med Chem Lett 9: 1263-1268 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00424
BindingDB Entry DOI: 10.7270/Q2TF01QC
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151402
PNG
(US8987314, B213)
Show SMILES CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(cc2s1)-c1cccc(OC(F)F)c1
Show InChI InChI=1S/C19H19F2N3O6S3/c1-32(26,27)16(17(25)23-7-8-33(22,28)29)18-24-14-6-5-12(10-15(14)31-18)11-3-2-4-13(9-11)30-19(20)21/h2-6,9-10,16,19H,7-8H2,1H3,(H,23,25)(H2,22,28,29)
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n/an/a 3n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151462
PNG
(US8987314, B273)
Show SMILES Cc1cc2nc(sc2cc1-c1ccc(cc1)C(=O)OC(C)(C)C)C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C30H33N3O7S3/c1-19-16-24-25(17-23(19)21-10-12-22(13-11-21)29(35)40-30(2,3)4)41-28(33-24)26(27(34)32-14-15-43(31,38)39)42(36,37)18-20-8-6-5-7-9-20/h5-13,16-17,26H,14-15,18H2,1-4H3,(H,32,34)(H2,31,38,39)
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n/an/a 3n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151422
PNG
(US8987314, B233)
Show SMILES Cc1cc(CNC(=O)C(c2nc3ccc(cc3s2)-c2ccccc2)S(C)(=O)=O)on1
Show InChI InChI=1S/C21H19N3O4S2/c1-13-10-16(28-24-13)12-22-20(25)19(30(2,26)27)21-23-17-9-8-15(11-18(17)29-21)14-6-4-3-5-7-14/h3-11,19H,12H2,1-2H3,(H,22,25)
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n/an/a 3.60n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151406
PNG
(US8987314, B217)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1ccc2nc(sc2c1)C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C21H24ClN3O6S3/c1-12(2)31-17-7-5-13(10-15(17)22)14-4-6-16-18(11-14)32-21(25-16)19(33(3,27)28)20(26)24-8-9-34(23,29)30/h4-7,10-12,19H,8-9H2,1-3H3,(H,24,26)(H2,23,29,30)
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n/an/a 3.60n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151404
PNG
(US8987314, B215)
Show SMILES COCc1cccc(c1)-c1ccc2nc(sc2c1)C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C20H23N3O6S3/c1-29-12-13-4-3-5-14(10-13)15-6-7-16-17(11-15)30-20(23-16)18(31(2,25)26)19(24)22-8-9-32(21,27)28/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,22,24)(H2,21,27,28)
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n/an/a 3.60n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
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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n/an/a 4n/an/an/an/an/an/a



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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n/an/a 4n/an/an/an/an/an/a



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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n/an/a 5n/an/an/an/an/an/a



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))
BDBM151463
PNG
(US8987314, B274)
Show SMILES Cc1cc2nc(sc2cc1-c1ccc(cc1)C(=O)OC(C)(C)C)C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C24H29N3O7S3/c1-14-12-18-19(13-17(14)15-6-8-16(9-7-15)23(29)34-24(2,3)4)35-22(27-18)20(36(5,30)31)21(28)26-10-11-37(25,32)33/h6-9,12-13,20H,10-11H2,1-5H3,(H,26,28)(H2,25,32,33)
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n/an/a 5.10n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151407
PNG
(US8987314, B218)
Show SMILES COc1c(F)cc(cc1F)-c1ccc2nc(sc2c1)C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C19H19F2N3O6S3/c1-30-16-12(20)7-11(8-13(16)21)10-3-4-14-15(9-10)31-19(24-14)17(32(2,26)27)18(25)23-5-6-33(22,28)29/h3-4,7-9,17H,5-6H2,1-2H3,(H,23,25)(H2,22,28,29)
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n/an/a 5.20n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50525869
PNG
(CHEMBL4587475)
Show SMILES O=C(CNC(=O)C(C#N)c1nc2ccc(cc2s1)-c1ccccc1)NC1CC1
Show InChI InChI=1S/C21H18N4O2S/c22-11-16(20(27)23-12-19(26)24-15-7-8-15)21-25-17-9-6-14(10-18(17)28-21)13-4-2-1-3-5-13/h1-6,9-10,15-16H,7-8,12H2,(H,23,27)(H,24,26)
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n/an/a 5.40n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of hepatic lipase (unknown origin)


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126673
BindingDB Entry DOI: 10.7270/Q2DN48G0
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151567
PNG
(US8987314, B378)
Show SMILES COCc1ccc(cc1)-c1ccc2sc(nc2c1)C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C20H23N3O6S3/c1-29-12-13-3-5-14(6-4-13)15-7-8-17-16(11-15)23-20(30-17)18(31(2,25)26)19(24)22-9-10-32(21,27)28/h3-8,11,18H,9-10,12H2,1-2H3,(H,22,24)(H2,21,27,28)
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n/an/a 6.70n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50522804
PNG
(CHEMBL4437751)
Show SMILES Fc1ccc(cn1)-c1ccc2nc(sc2c1)C(C(=O)NCC(=O)NC1CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H23FN4O4S2/c27-22-11-7-18(13-28-22)17-6-10-20-21(12-17)36-26(31-20)24(25(33)29-14-23(32)30-19-8-9-19)37(34,35)15-16-4-2-1-3-5-16/h1-7,10-13,19,24H,8-9,14-15H2,(H,29,33)(H,30,32)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human hepatic lipase expressed in African green monkey COS7 cells using PED-A1 as substrate incubated for 20 mins and measured every 20...


Bioorg Med Chem Lett 29: 1918-1921 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.048
BindingDB Entry DOI: 10.7270/Q2JH3QMN
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151297
PNG
(US8987314, B93)
Show SMILES COCCNC(=O)c1ccc(cc1)-c1ccc2sc(nc2c1)C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C22H26N4O7S3/c1-33-11-9-24-20(27)15-5-3-14(4-6-15)16-7-8-18-17(13-16)26-22(34-18)19(35(2,29)30)21(28)25-10-12-36(23,31)32/h3-8,13,19H,9-12H2,1-2H3,(H,24,27)(H,25,28)(H2,23,31,32)
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n/an/a 7.10n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151428
PNG
(US8987314, B239)
Show SMILES COCc1ccc(cc1)-c1ccc2nc(sc2c1)C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F
Show InChI InChI=1S/C22H24F3N3O6S3/c1-34-13-14-2-4-15(5-3-14)16-6-7-17-18(12-16)35-21(28-17)19(20(29)27-9-11-37(26,32)33)36(30,31)10-8-22(23,24)25/h2-7,12,19H,8-11,13H2,1H3,(H,27,29)(H2,26,32,33)
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n/an/a 7.30n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151412
PNG
(US8987314, B223)
Show SMILES CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(cc2s1)-c1ccc(cc1)-c1nnc(N)s1
Show InChI InChI=1S/C20H20N6O5S4/c1-34(28,29)16(17(27)23-8-9-35(22,30)31)19-24-14-7-6-13(10-15(14)32-19)11-2-4-12(5-3-11)18-25-26-20(21)33-18/h2-7,10,16H,8-9H2,1H3,(H2,21,26)(H,23,27)(H2,22,30,31)
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n/an/a 7.70n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
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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n/an/a 9n/an/an/an/an/an/a



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))
BDBM151442
PNG
(US8987314, B253)
Show SMILES Cc1nnc(CNC(=O)C(c2nc3ccc(cc3s2)-c2ccc(F)cc2)S(=O)(=O)Cc2ccccc2)o1
Show InChI InChI=1S/C26H21FN4O4S2/c1-16-30-31-23(35-16)14-28-25(32)24(37(33,34)15-17-5-3-2-4-6-17)26-29-21-12-9-19(13-22(21)36-26)18-7-10-20(27)11-8-18/h2-13,24H,14-15H2,1H3,(H,28,32)
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n/an/a 9.40n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50521232
PNG
(CHEMBL4567596)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(c1nc2ccc(cc2s1)-c1cccc(Cl)c1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H20ClN5O5S3/c25-18-8-4-7-16(11-18)17-9-10-19-20(12-17)36-24(28-19)22(37(31,32)14-15-5-2-1-3-6-15)23-30-29-21(35-23)13-27-38(26,33)34/h1-12,22,27H,13-14H2,(H2,26,33,34)
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by subs...


ACS Med Chem Lett 9: 1263-1268 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00424
BindingDB Entry DOI: 10.7270/Q2TF01QC
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM151331
PNG
(US8987314, B129)
Show SMILES Cc1cc2nc(sc2cc1-c1ccc(F)nc1)C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C18H19FN4O5S3/c1-10-7-13-14(8-12(10)11-3-4-15(19)22-9-11)29-18(23-13)16(30(2,25)26)17(24)21-5-6-31(20,27)28/h3-4,7-9,16H,5-6H2,1-2H3,(H,21,24)(H2,20,27,28)
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n/an/a<10n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artifi...


US Patent US8987314 (2015)


BindingDB Entry DOI: 10.7270/Q2W094N8
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50521233
PNG
(CHEMBL4458141)
Show SMILES CC(C)S(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C20H21N5O5S3/c1-12(2)32(26,27)18(19-25-24-17(30-19)11-22-33(21,28)29)20-23-15-9-8-14(10-16(15)31-20)13-6-4-3-5-7-13/h3-10,12,18,22H,11H2,1-2H3,(H2,21,28,29)
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by subs...


ACS Med Chem Lett 9: 1263-1268 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00424
BindingDB Entry DOI: 10.7270/Q2TF01QC
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50521230
PNG
(CHEMBL4546575)
Show SMILES CS(=O)(=O)C(c1nnc(CC2SC(=O)NC2=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C21H16N4O5S3/c1-33(28,29)17(19-25-24-16(30-19)10-15-18(26)23-21(27)32-15)20-22-13-8-7-12(9-14(13)31-20)11-5-3-2-4-6-11/h2-9,15,17H,10H2,1H3,(H,23,26,27)
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by subs...


ACS Med Chem Lett 9: 1263-1268 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00424
BindingDB Entry DOI: 10.7270/Q2TF01QC
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50521225
PNG
(CHEMBL4440746)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(c1nc2ccc(cc2s1)-c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H19Cl2N5O5S3/c25-17-8-6-15(10-18(17)26)16-7-9-19-20(11-16)37-24(29-19)22(38(32,33)13-14-4-2-1-3-5-14)23-31-30-21(36-23)12-28-39(27,34)35/h1-11,22,28H,12-13H2,(H2,27,34,35)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by subs...


ACS Med Chem Lett 9: 1263-1268 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00424
BindingDB Entry DOI: 10.7270/Q2TF01QC
More data for this
Ligand-Target Pair
Hepatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50521236
PNG
(CHEMBL4589925)
Show SMILES NS(=O)(=O)NCc1nnc(o1)C(c1nc2ccc(cc2s1)-c1ccccc1)S(=O)(=O)CCC(F)(F)F
Show InChI InChI=1S/C20H18F3N5O5S3/c21-20(22,23)8-9-35(29,30)17(18-28-27-16(33-18)11-25-36(24,31)32)19-26-14-7-6-13(10-15(14)34-19)12-4-2-1-3-5-12/h1-7,10,17,25H,8-9,11H2,(H2,24,31,32)
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by subs...


ACS Med Chem Lett 9: 1263-1268 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00424
BindingDB Entry DOI: 10.7270/Q2TF01QC
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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n/an/a 10n/an/an/an/an/an/a



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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n/an/a 10n/an/an/an/an/an/a



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
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