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Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with all data for entry = 7298   
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))
BDBM187304
PNG
(US9169240, 44)
Show SMILES CC(C)(C)CN1CC(C1)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H23FN4O2S/c1-24(2,3)13-29-11-16(12-29)21-27-28-22(31-21)20(30)23-26-18-9-6-15(10-19(18)32-23)14-4-7-17(25)8-5-14/h4-10,16H,11-13H2,1-3H3
KEGG

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n/an/a 4.80n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187325
PNG
(US9169240, 64)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(NCCc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C24H16ClFN4O2S/c25-17-6-1-14(2-7-17)11-12-27-24-30-29-22(32-24)21(31)23-28-19-10-5-16(13-20(19)33-23)15-3-8-18(26)9-4-15/h1-10,13H,11-12H2,(H,27,30)
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n/an/a 6.60n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187345
PNG
(US9169240, 84)
Show SMILES FC(F)(F)CN(C1CCNC1=O)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C22H16F3N5O3S/c23-22(24,25)11-30(15-8-9-26-18(15)32)21-29-28-19(33-21)17(31)20-27-14-7-6-13(10-16(14)34-20)12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2,(H,26,32)
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187263
PNG
(US9169240, 2)
Show SMILES O=C(c1nnc(CC2NC(=O)NC2=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C20H13N5O4S/c26-16(18-25-24-15(29-18)9-13-17(27)23-20(28)22-13)19-21-12-7-6-11(8-14(12)30-19)10-4-2-1-3-5-10/h1-8,13H,9H2,(H2,22,23,27,28)
KEGG

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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187264
PNG
(US9169240, 3 | US9169240, 4)
Show SMILES O=C(c1nnc(CC2CCNC2=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C21H16N4O3S/c26-18(20-25-24-17(28-20)11-14-8-9-22-19(14)27)21-23-15-7-6-13(10-16(15)29-21)12-4-2-1-3-5-12/h1-7,10,14H,8-9,11H2,(H,22,27)
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187264
PNG
(US9169240, 3 | US9169240, 4)
Show SMILES O=C(c1nnc(CC2CCNC2=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C21H16N4O3S/c26-18(20-25-24-17(28-20)11-14-8-9-22-19(14)27)21-23-15-7-6-13(10-16(15)29-21)12-4-2-1-3-5-12/h1-7,10,14H,8-9,11H2,(H,22,27)
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187266
PNG
(US9169240, 5)
Show SMILES NS(=O)(=O)Cc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C17H12N4O4S2/c18-27(23,24)9-14-20-21-16(25-14)15(22)17-19-12-7-6-11(8-13(12)26-17)10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,23,24)
KEGG

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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187268
PNG
(US9169240, 7)
Show SMILES O=C(c1nnc(o1)C1CCN(CC1)c1ncccn1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C25H20N6O2S/c32-21(24-28-19-8-7-18(15-20(19)34-24)16-5-2-1-3-6-16)23-30-29-22(33-23)17-9-13-31(14-10-17)25-26-11-4-12-27-25/h1-8,11-12,15,17H,9-10,13-14H2
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187270
PNG
(US9169240, 9)
Show SMILES O=C(c1nnc(CCc2ncc(o2)-c2ccccc2)o1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C27H18N4O3S/c32-25(27-29-20-12-11-19(15-22(20)35-27)17-7-3-1-4-8-17)26-31-30-24(34-26)14-13-23-28-16-21(33-23)18-9-5-2-6-10-18/h1-12,15-16H,13-14H2
KEGG

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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187271
PNG
(US9169240, 10)
Show SMILES O=C(c1nnc(CC2SC(=O)NC2=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C20H12N4O4S2/c25-16(18-24-23-15(28-18)9-14-17(26)22-20(27)30-14)19-21-12-7-6-11(8-13(12)29-19)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,22,26,27)
KEGG

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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187272
PNG
(US9169240, 11)
Show SMILES O=C(c1nnc(o1)C1CCS(=O)(=O)N1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C19H14N4O4S2/c24-16(18-22-21-17(27-18)14-8-9-29(25,26)23-14)19-20-13-7-6-12(10-15(13)28-19)11-4-2-1-3-5-11/h1-7,10,14,23H,8-9H2
KEGG

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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187273
PNG
(US9169240, 12)
Show SMILES NS(=O)(=O)Cc1nnc(o1)C(=O)c1nc2c(F)cc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C17H11FN4O4S2/c18-11-6-10(9-4-2-1-3-5-9)7-12-14(11)20-17(27-12)15(23)16-22-21-13(26-16)8-28(19,24)25/h1-7H,8H2,(H2,19,24,25)
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187274
PNG
(US9169240, 13)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCC(CC1)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C28H21F3N4O2S/c29-28(30,31)20-7-9-21(10-8-20)35-14-12-18(13-15-35)25-33-34-26(37-25)24(36)27-32-22-11-6-19(16-23(22)38-27)17-4-2-1-3-5-17/h1-11,16,18H,12-15H2
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187275
PNG
(US9169240, 14)
Show SMILES Fc1cc(cc2sc(nc12)C(=O)c1nnc(CCc2nc3ccccc3[nH]2)o1)-c1ccccc1
Show InChI InChI=1S/C25H16FN5O2S/c26-16-12-15(14-6-2-1-3-7-14)13-19-22(16)29-25(34-19)23(32)24-31-30-21(33-24)11-10-20-27-17-8-4-5-9-18(17)28-20/h1-9,12-13H,10-11H2,(H,27,28)
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187276
PNG
(US9169240, 15)
Show SMILES CC(C)(C)OC(=O)N1CCC(CCc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C28H29FN4O4S/c1-28(2,3)37-27(35)33-14-12-17(13-15-33)4-11-23-31-32-25(36-23)24(34)26-30-21-10-7-19(16-22(21)38-26)18-5-8-20(29)9-6-18/h5-10,16-17H,4,11-15H2,1-3H3
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187278
PNG
(US9169240, 17)
Show SMILES Fc1ccc(CN2CCC(CC2)c2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H23FN4O2S/c29-22-9-6-18(7-10-22)17-33-14-12-20(13-15-33)26-31-32-27(35-26)25(34)28-30-23-11-8-21(16-24(23)36-28)19-4-2-1-3-5-19/h1-11,16,20H,12-15,17H2
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187279
PNG
(US9169240, 18)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H25FN4O4S/c1-26(2,3)35-25(33)31-12-10-16(11-13-31)22-29-30-23(34-22)21(32)24-28-19-9-6-17(14-20(19)36-24)15-4-7-18(27)8-5-15/h4-9,14,16H,10-13H2,1-3H3
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187281
PNG
(US9169240, 20)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O4S/c1-26(2,3)34-25(32)30-13-11-17(12-14-30)22-28-29-23(33-22)21(31)24-27-19-10-9-18(15-20(19)35-24)16-7-5-4-6-8-16/h4-10,15,17H,11-14H2,1-3H3
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187282
PNG
(US9169240, 21)
Show SMILES C[C@@H](NC(=O)OC(C)(C)C)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H22N4O4S/c1-13(24-22(29)31-23(2,3)4)19-26-27-20(30-19)18(28)21-25-16-11-10-15(12-17(16)32-21)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,24,29)/t13-/m1/s1
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187284
PNG
(US9169240, 23)
Show SMILES FC(F)(F)Oc1ccc(CN2CCC(CC2)c2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H23F3N4O3S/c30-29(31,32)39-22-9-6-18(7-10-22)17-36-14-12-20(13-15-36)26-34-35-27(38-26)25(37)28-33-23-11-8-21(16-24(23)40-28)19-4-2-1-3-5-19/h1-11,16,20H,12-15,17H2
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n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM123891
PNG
(US8754113, I-1-85 | US9169240, 24)
Show SMILES NS(=O)(=O)NCc1nnc(Cc2nc3ccc(cc3s2)-c2ccccc2)o1
Show InChI InChI=1S/C17H15N5O3S2/c18-27(23,24)19-10-16-22-21-15(25-16)9-17-20-13-7-6-12(8-14(13)26-17)11-4-2-1-3-5-11/h1-8,19H,9-10H2,(H2,18,23,24)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
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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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
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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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187291
PNG
(US9169240, 31 | US9169240, 38 | US9169240, 40)
Show SMILES CC1(Cc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)NC(=O)N(CC(F)(F)F)C1=O
Show InChI InChI=1S/C23H16F3N5O4S/c1-22(20(33)31(21(34)28-22)11-23(24,25)26)10-16-29-30-18(35-16)17(32)19-27-14-8-7-13(9-15(14)36-19)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,28,34)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187292
PNG
(US9169240, 32 | US9169240, 33 | US9169240, 34)
Show SMILES CC1(Cc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)NC(=O)NC1=O
Show InChI InChI=1S/C21H15N5O4S/c1-21(19(28)23-20(29)24-21)10-15-25-26-17(30-15)16(27)18-22-13-8-7-12(9-14(13)31-18)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,23,24,28,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187292
PNG
(US9169240, 32 | US9169240, 33 | US9169240, 34)
Show SMILES CC1(Cc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)NC(=O)NC1=O
Show InChI InChI=1S/C21H15N5O4S/c1-21(19(28)23-20(29)24-21)10-15-25-26-17(30-15)16(27)18-22-13-8-7-12(9-14(13)31-18)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,23,24,28,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187295
PNG
(US9169240, 35 | US9169240, 36 | US9169240, 37)
Show SMILES CC1(Cc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccc(F)cc2)NC(=O)NC1=O
Show InChI InChI=1S/C21H14FN5O4S/c1-21(19(29)24-20(30)25-21)9-15-26-27-17(31-15)16(28)18-23-13-7-4-11(8-14(13)32-18)10-2-5-12(22)6-3-10/h2-8H,9H2,1H3,(H2,24,25,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187295
PNG
(US9169240, 35 | US9169240, 36 | US9169240, 37)
Show SMILES CC1(Cc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccc(F)cc2)NC(=O)NC1=O
Show InChI InChI=1S/C21H14FN5O4S/c1-21(19(29)24-20(30)25-21)9-15-26-27-17(31-15)16(28)18-23-13-7-4-11(8-14(13)32-18)10-2-5-12(22)6-3-10/h2-8H,9H2,1H3,(H2,24,25,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187295
PNG
(US9169240, 35 | US9169240, 36 | US9169240, 37)
Show SMILES CC1(Cc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccc(F)cc2)NC(=O)NC1=O
Show InChI InChI=1S/C21H14FN5O4S/c1-21(19(29)24-20(30)25-21)9-15-26-27-17(31-15)16(28)18-23-13-7-4-11(8-14(13)32-18)10-2-5-12(22)6-3-10/h2-8H,9H2,1H3,(H2,24,25,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187299
PNG
(US9169240, 39)
Show SMILES CC(C)N1C(=O)NC(C)(Cc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)C1=O
Show InChI InChI=1S/C24H21N5O4S/c1-13(2)29-22(31)24(3,26-23(29)32)12-18-27-28-20(33-18)19(30)21-25-16-10-9-15(11-17(16)34-21)14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,26,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187291
PNG
(US9169240, 31 | US9169240, 38 | US9169240, 40)
Show SMILES CC1(Cc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)NC(=O)N(CC(F)(F)F)C1=O
Show InChI InChI=1S/C23H16F3N5O4S/c1-22(20(33)31(21(34)28-22)11-23(24,25)26)10-16-29-30-18(35-16)17(32)19-27-14-8-7-13(9-15(14)36-19)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,28,34)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187311
PNG
(US9169240, 50)
Show SMILES O=C(Cc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1)NC1CC1
Show InChI InChI=1S/C21H16N4O3S/c26-17(22-14-7-8-14)11-18-24-25-20(28-18)19(27)21-23-15-9-6-13(10-16(15)29-21)12-4-2-1-3-5-12/h1-6,9-10,14H,7-8,11H2,(H,22,26)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187312
PNG
(US9169240, 51)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(NC2CCNC2=O)o1
Show InChI InChI=1S/C21H16N6O4S/c22-17(29)11-3-1-10(2-4-11)12-5-6-13-15(9-12)32-20(24-13)16(28)19-26-27-21(31-19)25-14-7-8-23-18(14)30/h1-6,9,14H,7-8H2,(H2,22,29)(H,23,30)(H,25,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187314
PNG
(US9169240, 53)
Show SMILES O=C(c1nnc(N[C@H]2CCNC2=O)o1)c1nc2ccc(cc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H15N5O3S/c26-16(18-24-25-20(28-18)23-14-8-9-21-17(14)27)19-22-13-7-6-12(10-15(13)29-19)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,21,27)(H,23,25)/t14-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187315
PNG
(US9169240, 54)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(N[C@H]2CCNC2=O)o1 |r|
Show InChI InChI=1S/C20H14FN5O3S/c21-12-4-1-10(2-5-12)11-3-6-13-15(9-11)30-19(23-13)16(27)18-25-26-20(29-18)24-14-7-8-22-17(14)28/h1-6,9,14H,7-8H2,(H,22,28)(H,24,26)/t14-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187316
PNG
(US9169240, 55)
Show SMILES Fc1cc(cc2sc(nc12)C(=O)c1nnc(N[C@H]2CCNC2=O)o1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H14FN5O3S/c21-12-8-11(10-4-2-1-3-5-10)9-14-15(12)24-19(30-14)16(27)18-25-26-20(29-18)23-13-6-7-22-17(13)28/h1-5,8-9,13H,6-7H2,(H,22,28)(H,23,26)/t13-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187343
PNG
(US9169240, 82)
Show SMILES FC(F)Oc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(N[C@H]2CCNC2=O)o1 |r|
Show InChI InChI=1S/C21H15F2N5O4S/c22-20(23)31-12-4-1-10(2-5-12)11-3-6-13-15(9-11)33-19(25-13)16(29)18-27-28-21(32-18)26-14-7-8-24-17(14)30/h1-6,9,14,20H,7-8H2,(H,24,30)(H,26,28)/t14-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187344
PNG
(US9169240, 83)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(N[C@H]2CCNC2=O)o1 |r|
Show InChI InChI=1S/C20H16N6O5S2/c21-33(29,30)12-4-1-10(2-5-12)11-3-6-13-15(9-11)32-19(23-13)16(27)18-25-26-20(31-18)24-14-7-8-22-17(14)28/h1-6,9,14H,7-8H2,(H,22,28)(H,24,26)(H2,21,29,30)/t14-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187348
PNG
(US9169240, 87)
Show SMILES BrN([C@H]1CCNC1=O)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H14BrN5O3S/c21-26(14-8-9-22-17(14)28)20-25-24-18(29-20)16(27)19-23-13-7-6-12(10-15(13)30-19)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,22,28)/t14-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187269
PNG
(US9169240, 8)
Show SMILES O=C(c1nnc(CCc2ncc[nH]2)o1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C21H15N5O2S/c27-19(20-26-25-18(28-20)9-8-17-22-10-11-23-17)21-24-15-7-6-14(12-16(15)29-21)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,22,23)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187291
PNG
(US9169240, 31 | US9169240, 38 | US9169240, 40)
Show SMILES CC1(Cc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)NC(=O)N(CC(F)(F)F)C1=O
Show InChI InChI=1S/C23H16F3N5O4S/c1-22(20(33)31(21(34)28-22)11-23(24,25)26)10-16-29-30-18(35-16)17(32)19-27-14-8-7-13(9-15(14)36-19)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,28,34)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187280
PNG
(US9169240, 19)
Show SMILES O=C(c1nnc(CCC2CCN(CC3CC3)CC2)o1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C27H28N4O2S/c32-25(27-28-22-10-9-21(16-23(22)34-27)20-4-2-1-3-5-20)26-30-29-24(33-26)11-8-18-12-14-31(15-13-18)17-19-6-7-19/h1-5,9-10,16,18-19H,6-8,11-15,17H2
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n/an/a 13n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187305
PNG
(US9169240, 45)
Show SMILES CC(C)(C)CN1CCC(CC1)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O2S/c1-26(2,3)16-30-13-11-18(12-14-30)23-28-29-24(32-23)22(31)25-27-20-10-9-19(15-21(20)33-25)17-7-5-4-6-8-17/h4-10,15,18H,11-14,16H2,1-3H3
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n/an/a 14n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187301
PNG
(US9169240, 41)
Show SMILES O=C(c1nnc(CC2NC(=O)N(C2=O)c2ccccc2)o1)c1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C26H17N5O4S/c32-22(24-27-18-12-11-16(13-20(18)36-24)15-7-3-1-4-8-15)23-30-29-21(35-23)14-19-25(33)31(26(34)28-19)17-9-5-2-6-10-17/h1-13,19H,14H2,(H,28,34)
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n/an/a 16n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187303
PNG
(US9169240, 43)
Show SMILES CC(C)(C)CN1CC(C1)c1nnc(o1)C(=O)c1nc2c(F)cc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C24H23FN4O2S/c1-24(2,3)13-29-11-16(12-29)21-27-28-22(31-21)20(30)23-26-19-17(25)9-15(10-18(19)32-23)14-7-5-4-6-8-14/h4-10,16H,11-13H2,1-3H3
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n/an/a 18n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187308
PNG
(US9169240, 47)
Show SMILES COc1nc(-c2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)c(O)c(=O)[nH]1
Show InChI InChI=1S/C21H13N5O5S/c1-30-21-23-14(15(27)17(29)24-21)18-25-26-19(31-18)16(28)20-22-12-8-7-11(9-13(12)32-20)10-5-3-2-4-6-10/h2-9,27H,1H3,(H,23,24,29)
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n/an/a 19n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187302
PNG
(US9169240, 42)
Show SMILES CC(C)(C)CN1CC(C1)c1nnc(Cc2nc3ccc(cc3s2)-c2ccccc2)o1
Show InChI InChI=1S/C24H26N4OS/c1-24(2,3)15-28-13-18(14-28)23-27-26-21(29-23)12-22-25-19-10-9-17(11-20(19)30-22)16-7-5-4-6-8-16/h4-11,18H,12-15H2,1-3H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187292
PNG
(US9169240, 32 | US9169240, 33 | US9169240, 34)
Show SMILES CC1(Cc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)NC(=O)NC1=O
Show InChI InChI=1S/C21H15N5O4S/c1-21(19(28)23-20(29)24-21)10-15-25-26-17(30-15)16(27)18-22-13-8-7-12(9-14(13)31-18)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,23,24,28,29)
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n/an/a 21n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187318
PNG
(US9169240, 57)
Show SMILES O=C(c1nnc(N[C@H]2CCOC2=O)o1)c1nc2ccc(cc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H14N4O4S/c25-16(17-23-24-20(28-17)22-14-8-9-27-19(14)26)18-21-13-7-6-12(10-15(13)29-18)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,22,24)/t14-/m0/s1
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n/an/a 22n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187331
PNG
(BDBM187332 | US9169240, 70)
Show SMILES CN1CCC(Nc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)C1=O
Show InChI InChI=1S/C21H17N5O3S/c1-26-10-9-15(20(26)28)23-21-25-24-18(29-21)17(27)19-22-14-8-7-13(11-16(14)30-19)12-5-3-2-4-6-12/h2-8,11,15H,9-10H2,1H3,(H,23,25)
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n/an/a 22n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
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