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USPatent US8993557

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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))		BDBM152288
PNG
(US8993557, 16)
Show SMILES Cn1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c(O)c1=O
Show InChI InChI=1S/C20H17FN2O4/c1-23-11-10-17(18(24)20(23)26)19(25)22-12-13-2-6-15(7-3-13)27-16-8-4-14(21)5-9-16/h2-11,24H,12H2,1H3,(H,22,25)
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n/an/a 10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Av...

US Patent US8993557 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M1Z
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))		BDBM152297
PNG
(US8993557, 41)
Show SMILES Oc1c(ccn(CC(F)(F)F)c1=O)C(=O)NCc1ccccc1-c1ccc(F)cc1
Show InChI InChI=1S/C21H16F4N2O3/c22-15-7-5-13(6-8-15)16-4-2-1-3-14(16)11-26-19(29)17-9-10-27(12-21(23,24)25)20(30)18(17)28/h1-10,28H,11-12H2,(H,26,29)
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n/an/a 11.1n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Av...

US Patent US8993557 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M1Z
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))		BDBM152294
PNG
(US8993557, 32)
Show SMILES Cn1c(cc(C(=O)NCc2cccc(c2)-c2ccc(Cl)cc2)c(O)c1=O)C(F)(F)F
Show InChI InChI=1S/C21H16ClF3N2O3/c1-27-17(21(23,24)25)10-16(18(28)20(27)30)19(29)26-11-12-3-2-4-14(9-12)13-5-7-15(22)8-6-13/h2-10,28H,11H2,1H3,(H,26,29)
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n/an/a 11.3n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Av...

US Patent US8993557 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M1Z
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))		BDBM152291
PNG
(US8993557, 21)
Show SMILES Cn1ccc(C(=O)NCc2cccc(c2)-c2ccccc2)c(O)c1=O
Show InChI InChI=1S/C20H18N2O3/c1-22-11-10-17(18(23)20(22)25)19(24)21-13-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-12,23H,13H2,1H3,(H,21,24)
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n/an/a 17.9n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Av...

US Patent US8993557 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M1Z
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))		BDBM152295
PNG
(US8993557, 37)
Show SMILES Oc1c(ccn(CCC(F)(F)F)c1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:17.17,20.24,(2.67,1.44,;2.67,-.1,;1.33,-.87,;1.33,-2.41,;2.67,-3.18,;4,-2.41,;5.33,-3.18,;6.67,-2.41,;8,-3.18,;7.23,-4.52,;9.34,-3.95,;8.77,-1.85,;4,-.87,;5.33,-.1,;,-.1,;,1.44,;-1.33,-.87,;-2.67,-.1,;-4,-.87,;-5.33,-.1,;-5.33,1.44,;-4,2.21,;-2.67,1.44,;-6.67,2.21,;-6.67,3.75,;-8,4.52,;-9.34,3.75,;-9.34,2.21,;-8,1.44,)|
Show InChI InChI=1S/C21H23F3N2O3/c22-21(23,24)11-13-26-12-10-17(18(27)20(26)29)19(28)25-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,10,12,15-16,27H,6-9,11,13H2,(H,25,28)/t15-,16+
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n/an/a 352n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Av...

US Patent US8993557 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M1Z
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))		BDBM152290
PNG
(US8993557, 44)
Show SMILES Cn1c(Cl)cc(C(=O)NC2CCC(CC2)c2ccccc2)c(O)c1=O |(7.34,-3.08,;6,-2.31,;4.67,-3.08,;4.67,-4.62,;3.33,-2.31,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;-.67,,;-.67,1.54,;-2,2.31,;-3.33,1.54,;-3.33,,;-2,-.77,;-4.67,2.31,;-4.67,3.85,;-6,4.62,;-7.34,3.85,;-7.34,2.31,;-6,1.54,;4.67,,;4.67,1.54,;6,-.77,;7.34,,)|
Show InChI InChI=1S/C19H21ClN2O3/c1-22-16(20)11-15(17(23)19(22)25)18(24)21-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,11,13-14,23H,7-10H2,1H3,(H,21,24)
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n/an/a 475n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Av...

US Patent US8993557 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M1Z
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))		BDBM152296
PNG
(US8993557, 39)
Show SMILES Oc1c(ccn(CCCC(F)(F)F)c1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:18.18,21.25,(2,1.05,;2,-.49,;.67,-1.26,;.67,-2.8,;2,-3.57,;3.33,-2.8,;4.67,-3.57,;6,-2.8,;7.33,-3.57,;8.67,-2.8,;9.44,-4.13,;10,-2.03,;7.9,-1.46,;3.33,-1.26,;4.67,-.49,;-.67,-.49,;-.67,1.05,;-2,-1.26,;-3.33,-.49,;-4.67,-1.26,;-6,-.49,;-6,1.05,;-4.67,1.82,;-3.33,1.05,;-7.33,1.82,;-7.33,3.36,;-8.67,4.13,;-10,3.36,;-10,1.82,;-8.67,1.05,)|
Show InChI InChI=1S/C22H25F3N2O3/c23-22(24,25)12-4-13-27-14-11-18(19(28)21(27)30)20(29)26-17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-6,11,14,16-17,28H,4,7-10,12-13H2,(H,26,29)/t16-,17+
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n/an/a 692n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Av...

US Patent US8993557 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M1Z
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))		BDBM152289
PNG
(US8993557, 33)
Show SMILES Oc1c(ccn(CC(F)(F)F)c1=O)C(=O)NC1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H19F4N3O3/c20-12-1-3-14(4-2-12)25-8-5-13(6-9-25)24-17(28)15-7-10-26(11-19(21,22)23)18(29)16(15)27/h1-4,7,10,13,27H,5-6,8-9,11H2,(H,24,28)
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n/an/a 4.57E+3n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Av...

US Patent US8993557 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M1Z
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))		BDBM152293
PNG
(US8993557, 31)
Show SMILES Cn1ccc(C(=O)NCc2ccccc2N2CCCC2)c(O)c1=O
Show InChI InChI=1S/C18H21N3O3/c1-20-11-8-14(16(22)18(20)24)17(23)19-12-13-6-2-3-7-15(13)21-9-4-5-10-21/h2-3,6-8,11,22H,4-5,9-10,12H2,1H3,(H,19,23)
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n/an/a 6.45E+3n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Av...

US Patent US8993557 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M1Z
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))		BDBM152292
PNG
(US8993557, 29)
Show SMILES Cn1ccc(C(=O)NCc2ccccc2N2CCCCC2)c(O)c1=O
Show InChI InChI=1S/C19H23N3O3/c1-21-12-9-15(17(23)19(21)25)18(24)20-13-14-7-3-4-8-16(14)22-10-5-2-6-11-22/h3-4,7-9,12,23H,2,5-6,10-11,13H2,1H3,(H,20,24)
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n/an/a 6.55E+3n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Av...

US Patent US8993557 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M1Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%