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Patent code US8722721

Compile Data Set for Download or QSAR
Found 18 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
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121019
PNG
(US8722721, 11)
Show SMILES CC(C)[C@@H]1C[C@]2(CCN(C2=O)c2ccc(OCC(F)(F)F)cc2)CC[C@H]1O |r|
Show InChI InChI=1S/C20H26F3NO3/c1-13(2)16-11-19(8-7-17(16)25)9-10-24(18(19)26)14-3-5-15(6-4-14)27-12-20(21,22)23/h3-6,13,16-17,25H,7-12H2,1-2H3/t16-,17+,19+/m0/s1
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n/an/a 2.40n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121018
PNG
(US8722721, 10)
Show SMILES CCC[C@@H]1C[C@]2(CCN(C2=O)c2ccc(OCC(F)(F)F)cc2)CC[C@H]1O |r|
Show InChI InChI=1S/C20H26F3NO3/c1-2-3-14-12-19(9-8-17(14)25)10-11-24(18(19)26)15-4-6-16(7-5-15)27-13-20(21,22)23/h4-7,14,17,25H,2-3,8-13H2,1H3/t14-,17-,19-/m1/s1
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n/an/a 3.70n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121011
PNG
(US8722721, 2)
Show SMILES CC(C)[C@@H]1C[C@]2(CCN(C2=O)c2ccc(OC(F)(F)F)cc2)CC[C@H]1O |r|
Show InChI InChI=1S/C19H24F3NO3/c1-12(2)15-11-18(8-7-16(15)24)9-10-23(17(18)25)13-3-5-14(6-4-13)26-19(20,21)22/h3-6,12,15-16,24H,7-11H2,1-2H3/t15-,16+,18+/m0/s1
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n/an/a 16.2n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121027
PNG
(US8722721, 7)
Show SMILES O[C@H]1CC[C@]2(CCN(C2=O)c2ccc(OC(F)(F)F)cc2)C[C@@H]1OCC(F)(F)F |r|
Show InChI InChI=1S/C18H19F6NO4/c19-17(20,21)10-28-14-9-16(6-5-13(14)26)7-8-25(15(16)27)11-1-3-12(4-2-11)29-18(22,23)24/h1-4,13-14,26H,5-10H2/t13-,14-,16-/m0/s1
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n/an/a 42.1n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121014
PNG
(US8722721, 5 | US8722721, 6)
Show SMILES O[C@@H]1CC[C@@]2(CCN(C2=O)c2ccc(OC(F)(F)F)cc2)C[C@H]1OCC(F)(F)F |r|
Show InChI InChI=1S/C18H19F6NO4/c19-17(20,21)10-28-14-9-16(6-5-13(14)26)7-8-25(15(16)27)11-1-3-12(4-2-11)29-18(22,23)24/h1-4,13-14,26H,5-10H2/t13-,14-,16-/m1/s1
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n/an/a 66.4n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121010
PNG
(US8722721, 1)
Show SMILES CCC[C@@H]1C[C@]2(CCN(C2=O)c2ccc(OC(F)(F)F)cc2)CC[C@H]1O |r|
Show InChI InChI=1S/C19H24F3NO3/c1-2-3-13-12-18(9-8-16(13)24)10-11-23(17(18)25)14-4-6-15(7-5-14)26-19(20,21)22/h4-7,13,16,24H,2-3,8-12H2,1H3/t13-,16-,18-/m1/s1
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n/an/a 67n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121017
PNG
(US8722721, 9)
Show SMILES CCCO[C@@H]1C[C@]2(CCN(C2=O)c2ccc(OC(F)(F)F)cc2)CC[C@H]1O |r|
Show InChI InChI=1S/C19H24F3NO4/c1-2-11-26-16-12-18(8-7-15(16)24)9-10-23(17(18)25)13-3-5-14(6-4-13)27-19(20,21)22/h3-6,15-16,24H,2,7-12H2,1H3/t15-,16-,18-/m1/s1
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n/an/a 73.3n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121023
PNG
(US8722721, 15)
Show SMILES CO[C@H](c1ccc(cc1)N1CC[C@@]2(CC[C@@H](O)[C@@H](C2)OC(C)C)C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C21H28F3NO4/c1-13(2)29-17-12-20(9-8-16(17)26)10-11-25(19(20)27)15-6-4-14(5-7-15)18(28-3)21(22,23)24/h4-7,13,16-18,26H,8-12H2,1-3H3/t16-,17-,18-,20-/m1/s1
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n/an/a 136n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121014
PNG
(US8722721, 5 | US8722721, 6)
Show SMILES O[C@@H]1CC[C@@]2(CCN(C2=O)c2ccc(OC(F)(F)F)cc2)C[C@H]1OCC(F)(F)F |r|
Show InChI InChI=1S/C18H19F6NO4/c19-17(20,21)10-28-14-9-16(6-5-13(14)26)7-8-25(15(16)27)11-1-3-12(4-2-11)29-18(22,23)24/h1-4,13-14,26H,5-10H2/t13-,14-,16-/m1/s1
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n/an/a 158n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121024
PNG
(US8722721, 16)
Show SMILES CO[C@H](c1ccc(cc1)N1CC[C@@]2(CC[C@@H](O)[C@@H](C2)OCC(F)(F)F)C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C20H23F6NO4/c1-30-16(20(24,25)26)12-2-4-13(5-3-12)27-9-8-18(17(27)29)7-6-14(28)15(10-18)31-11-19(21,22)23/h2-5,14-16,28H,6-11H2,1H3/t14-,15-,16-,18-/m1/s1
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n/an/a 175n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121026
PNG
(US8722721, 18)
Show SMILES O[C@H](c1ccc(cc1)N1CC[C@@]2(CC[C@@H](O)[C@@H](C2)OCC(F)(F)F)C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C19H21F6NO4/c20-18(21,22)10-30-14-9-17(6-5-13(14)27)7-8-26(16(17)29)12-3-1-11(2-4-12)15(28)19(23,24)25/h1-4,13-15,27-28H,5-10H2/t13-,14-,15-,17-/m1/s1
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n/an/a 185n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121012
PNG
(US8722721, 3)
Show SMILES CC(C)O[C@@H]1C[C@]2(CCN(C2=O)c2ccc(OC(F)(F)F)cc2)CC[C@H]1O |r|
Show InChI InChI=1S/C19H24F3NO4/c1-12(2)26-16-11-18(8-7-15(16)24)9-10-23(17(18)25)13-3-5-14(6-4-13)27-19(20,21)22/h3-6,12,15-16,24H,7-11H2,1-2H3/t15-,16-,18-/m1/s1
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n/an/a 189n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121013
PNG
(US8722721, 4)
Show SMILES CCO[C@@H]1C[C@]2(CCN(C2=O)c2ccc(OC(F)(F)F)cc2)CC[C@H]1O |r|
Show InChI InChI=1S/C18H22F3NO4/c1-2-25-15-11-17(8-7-14(15)23)9-10-22(16(17)24)12-3-5-13(6-4-12)26-18(19,20)21/h3-6,14-15,23H,2,7-11H2,1H3/t14-,15-,17-/m1/s1
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n/an/a 198n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121016
PNG
(US8722721, 8)
Show SMILES CO[C@@H]1C[C@]2(CCN(C2=O)c2ccc(OC(F)(F)F)cc2)CC[C@H]1O |r|
Show InChI InChI=1S/C17H20F3NO4/c1-24-14-10-16(7-6-13(14)22)8-9-21(15(16)23)11-2-4-12(5-3-11)25-17(18,19)20/h2-5,13-14,22H,6-10H2,1H3/t13-,14-,16-/m1/s1
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n/an/a 343n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121020
PNG
(US8722721, 12)
Show SMILES O[C@@H]1CC[C@@]2(CCN(C2=O)c2ccc(OCC(F)(F)F)cc2)C[C@H]1OCC(F)(F)F |r|
Show InChI InChI=1S/C19H21F6NO4/c20-18(21,22)10-29-13-3-1-12(2-4-13)26-8-7-17(16(26)28)6-5-14(27)15(9-17)30-11-19(23,24)25/h1-4,14-15,27H,5-11H2/t14-,15-,17-/m1/s1
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n/an/a 350n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121022
PNG
(US8722721, 14)
Show SMILES CC(C)O[C@@H]1C[C@]2(CCN(C2=O)c2ccc(OCC(F)(F)F)cc2)CC[C@H]1O |r|
Show InChI InChI=1S/C20H26F3NO4/c1-13(2)28-17-11-19(8-7-16(17)25)9-10-24(18(19)26)14-3-5-15(6-4-14)27-12-20(21,22)23/h3-6,13,16-17,25H,7-12H2,1-2H3/t16-,17-,19-/m1/s1
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n/an/a 422n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121021
PNG
(US8722721, 13)
Show SMILES CCO[C@@H]1C[C@]2(CCN(C2=O)c2ccc(OCC(F)(F)F)cc2)CC[C@H]1O |r|
Show InChI InChI=1S/C19H24F3NO4/c1-2-26-16-11-18(8-7-15(16)24)9-10-23(17(18)25)13-3-5-14(6-4-13)27-12-19(20,21)22/h3-6,15-16,24H,2,7-12H2,1H3/t15-,16-,18-/m1/s1
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n/an/a 994n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))		BDBM121025
PNG
(US8722721, 17)
Show SMILES O[C@@H]1CC[C@@]2(CCN(C2=O)c2ccc(cc2)[C@@H](OCc2ccccc2)C(F)(F)F)C[C@H]1OCC(F)(F)F |r|
Show InChI InChI=1S/C26H27F6NO4/c27-25(28,29)16-37-21-14-24(11-10-20(21)34)12-13-33(23(24)35)19-8-6-18(7-9-19)22(26(30,31)32)36-15-17-4-2-1-3-5-17/h1-9,20-22,34H,10-16H2/t20-,21-,22-,24-/m1/s1
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n/an/a 1.07E+3n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typica...

US Patent US8722721 (2014)


BindingDB Entry DOI: 10.7270/Q2F76B7M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%