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Compile Data Set for Download or QSAR

Found 593 hits Enz. Inhib. hit(s) with Target = 'Hormone-sensitive lipase (HSL)'   
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


(Rattus norvegicus (Rat))
BDBM141543
PNG
(US8921404, 10)
Show SMILES CC1CCN(CC1)C(=O)Oc1noc2nc(Cl)ccc12
Show InChI InChI=1S/C13H14ClN3O3/c1-8-4-6-17(7-5-8)13(18)19-12-9-2-3-10(14)15-11(9)20-16-12/h2-3,8H,4-7H2,1H3
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n/an/a 670n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141540
PNG
(US8921404, 5)
Show SMILES CC1CCN(CC1)C(=O)Oc1nsc2ccccc12
Show InChI InChI=1S/C14H16N2O2S/c1-10-6-8-16(9-7-10)14(17)18-13-11-4-2-3-5-12(11)19-15-13/h2-5,10H,6-9H2,1H3
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n/an/a 100n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141539
PNG
(US8921404, 4)
Show SMILES CC1CCN(CC1)C(=O)Oc1nsc2ncccc12
Show InChI InChI=1S/C13H15N3O2S/c1-9-4-7-16(8-5-9)13(17)18-11-10-3-2-6-14-12(10)19-15-11/h2-3,6,9H,4-5,7-8H2,1H3
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n/an/a 100n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141538
PNG
(US8921404, 3)
Show SMILES FC(F)(F)C1CCN(CC1)C(=O)Oc1noc2cc(Cl)ccc12
Show InChI InChI=1S/C14H12ClF3N2O3/c15-9-1-2-10-11(7-9)23-19-12(10)22-13(21)20-5-3-8(4-6-20)14(16,17)18/h1-2,7-8H,3-6H2
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n/an/a 100n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141537
PNG
(US8921404, 2)
Show SMILES CC1CCN(CC1)C(=O)Oc1noc2ncccc12
Show InChI InChI=1S/C13H15N3O3/c1-9-4-7-16(8-5-9)13(17)18-12-10-3-2-6-14-11(10)19-15-12/h2-3,6,9H,4-5,7-8H2,1H3
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n/an/a 120n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141536
PNG
(US8921404, 1)
Show SMILES CC1CCN(CC1)C(=O)Oc1noc2cc(Cl)ccc12
Show InChI InChI=1S/C14H15ClN2O3/c1-9-4-6-17(7-5-9)14(18)19-13-11-3-2-10(15)8-12(11)20-16-13/h2-3,8-9H,4-7H2,1H3
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n/an/a 120n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141544
PNG
(US8921404, 11)
Show SMILES CC1CCN(CC1)C(=O)Oc1noc2nc(C)ccc12
Show InChI InChI=1S/C14H17N3O3/c1-9-5-7-17(8-6-9)14(18)19-13-11-4-3-10(2)15-12(11)20-16-13/h3-4,9H,5-8H2,1-2H3
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n/an/a 260n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM97632
PNG
(US8470843, 8)
Show SMILES Cn1nccc1S(=O)(=O)N1CCC2(CCN(C2=O)c2ccc(CC(F)(F)F)cc2)C(O)C1
Show InChI InChI=1S/C20H23F3N4O4S/c1-25-17(6-9-24-25)32(30,31)26-10-7-19(16(28)13-26)8-11-27(18(19)29)15-4-2-14(3-5-15)12-20(21,22)23/h2-6,9,16,28H,7-8,10-13H2,1H3
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n/an/a 30n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM97633
PNG
(US8470843, 9)
Show SMILES CC(C)(C)CS(=O)(=O)N1CCC2(CCN(C2=O)c2ccc(CC(F)(F)F)cc2)C(O)C1
Show InChI InChI=1S/C21H29F3N2O4S/c1-19(2,3)14-31(29,30)25-10-8-20(17(27)13-25)9-11-26(18(20)28)16-6-4-15(5-7-16)12-21(22,23)24/h4-7,17,27H,8-14H2,1-3H3
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n/an/a 30n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM97634
PNG
(US8470843, 10)
Show SMILES CC(Oc1ccc(cc1)N1CCC2(CCN(CC2O)S(=O)(=O)c2ccccc2Cl)C1=O)C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N2O5S/c1-15(23(25,26)27)34-17-8-6-16(7-9-17)29-13-11-22(21(29)31)10-12-28(14-20(22)30)35(32,33)19-5-3-2-4-18(19)24/h2-9,15,20,30H,10-14H2,1H3
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n/an/a 20n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM97635
PNG
(US8470843, 11)
Show SMILES CC(Oc1ccc(cc1)N1CCC2(CCN(CC2O)S(=O)(=O)c2ccnn2C)C1=O)C(F)(F)F
Show InChI InChI=1S/C21H25F3N4O5S/c1-14(21(22,23)24)33-16-5-3-15(4-6-16)28-12-9-20(19(28)30)8-11-27(13-17(20)29)34(31,32)18-7-10-25-26(18)2/h3-7,10,14,17,29H,8-9,11-13H2,1-2H3
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n/an/a 50n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM97636
PNG
(US8470843, 12)
Show SMILES FC(F)(F)Oc1ccc(cc1)N1CCC2(CCN(CC2=O)S(=O)(=O)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H18ClF3N2O5S/c22-16-3-1-2-4-17(16)33(30,31)26-11-9-20(18(28)13-26)10-12-27(19(20)29)14-5-7-15(8-6-14)32-21(23,24)25/h1-8H,9-13H2
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n/an/a 20n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM1664
PNG
(US8470843, 13 | US8470843, 14)
Show SMILES CC1(O)CN(CCC11CCN(C1=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C22H22ClF3N2O5S/c1-20(30)14-27(34(31,32)18-5-3-2-4-17(18)23)12-10-21(20)11-13-28(19(21)29)15-6-8-16(9-7-15)33-22(24,25)26/h2-9,30H,10-14H2,1H3
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n/an/a 20n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM97638
PNG
(US8470843, 15)
Show SMILES OC1CN(CCC11CCN(C1=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H20ClF3N2O5S/c22-16-3-1-2-4-17(16)33(30,31)26-11-9-20(18(28)13-26)10-12-27(19(20)29)14-5-7-15(8-6-14)32-21(23,24)25/h1-8,18,28H,9-13H2
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n/an/a 430n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM120365
PNG
(US8703807, 1)
Show SMILES O[C@@]1(CN2CCCC2=O)CC[C@]2(CCN(C2=O)c2ccc(cc2)C(F)(F)F)CC1 |r,wU:11.16,1.0,wD:1.1,(-4.32,1.91,;-3.92,.43,;-5.01,-.66,;-6.49,-.26,;-6.97,1.2,;-8.51,1.2,;-8.99,-.26,;-7.74,-1.17,;-7.74,-2.71,;-2.83,1.51,;-1.34,1.12,;-.94,-.37,;-.47,-1.84,;1.07,-1.84,;1.55,-.37,;.3,.53,;.3,2.07,;3.04,.03,;4.13,-1.06,;5.61,-.66,;6.01,.82,;4.92,1.91,;3.43,1.51,;7.5,1.22,;8.59,.13,;7.9,2.71,;8.99,1.62,;-2.03,-1.46,;-3.52,-1.06,)|
Show InChI InChI=1S/C21H25F3N2O3/c22-21(23,24)15-3-5-16(6-4-15)26-13-11-19(18(26)28)7-9-20(29,10-8-19)14-25-12-1-2-17(25)27/h3-6,29H,1-2,7-14H2/t19-,20+
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n/an/a 7.70n/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 US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM120366
PNG
(US8703807, 2)
Show SMILES O[C@@]1(CN2CCCCC2=O)CC[C@]2(CCN(C2=O)c2ccc(cc2)C(F)(F)F)CC1 |r,wU:12.17,1.0,wD:1.1,(-4.96,.59,;-3.88,-.5,;-5.36,-.9,;-6.45,.19,;-6.05,1.68,;-7.14,2.76,;-8.63,2.37,;-9.03,.88,;-7.94,-.21,;-8.34,-1.7,;-2.79,.59,;-1.3,.19,;-.9,-1.3,;-.42,-2.76,;1.12,-2.76,;1.59,-1.3,;.35,-.39,;.35,1.15,;3.08,-.9,;4.17,-1.99,;5.66,-1.59,;6.05,-.1,;4.96,.99,;3.48,.59,;7.54,.29,;8.63,-.79,;7.94,1.78,;9.03,.69,;-1.99,-2.39,;-3.48,-1.99,)|
Show InChI InChI=1S/C22H27F3N2O3/c23-22(24,25)16-4-6-17(7-5-16)27-14-12-20(19(27)29)8-10-21(30,11-9-20)15-26-13-2-1-3-18(26)28/h4-7,30H,1-3,8-15H2/t20-,21+
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n/an/a 68.1n/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 US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM120367
PNG
(US8703807, 3)
Show SMILES CC(C)Oc1ccc(cc1)N1CC[C@]2(CC[C@@](O)(CN3CCCC3=O)CC2)C1=O |r,wU:13.29,16.17,wD:16.18,(9.44,-.29,;7.95,-.69,;7.55,-2.18,;6.86,.4,;5.38,-0,;4.98,-1.49,;3.49,-1.89,;2.4,-.8,;2.8,.69,;4.29,1.09,;.91,-1.2,;.44,-2.66,;-1.1,-2.66,;-1.58,-1.2,;-1.98,.29,;-3.46,.69,;-4.55,-.4,;-5.64,.69,;-6.04,-.8,;-7.13,.29,;-6.65,1.76,;-7.9,2.66,;-9.15,1.76,;-8.67,.29,;-9.44,-1.04,;-4.15,-1.89,;-2.67,-2.29,;-.33,-.29,;-.33,1.25,)|
Show InChI InChI=1S/C23H32N2O4/c1-17(2)29-19-7-5-18(6-8-19)25-15-13-22(21(25)27)9-11-23(28,12-10-22)16-24-14-3-4-20(24)26/h5-8,17,28H,3-4,9-16H2,1-2H3/t22-,23+
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n/an/a 50.9n/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 US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM120368
PNG
(US8703807, 4)
Show SMILES CC(C)Oc1ccc(cc1)N1CC[C@]2(CC[C@@](O)(CN3CCCCC3=O)CC2)C1=O |r,wU:13.30,16.17,wD:16.18,(9.57,-.4,;8.09,-.79,;7.69,-2.28,;7,.29,;5.51,-.1,;5.11,-1.59,;3.62,-1.99,;2.53,-.9,;2.93,.59,;4.42,.99,;1.05,-1.3,;.57,-2.76,;-.97,-2.76,;-1.45,-1.3,;-1.84,.19,;-3.33,.59,;-4.42,-.5,;-5.51,.59,;-5.91,-.9,;-7,.19,;-6.6,1.68,;-7.69,2.76,;-9.17,2.37,;-9.57,.88,;-8.48,-.21,;-8.88,-1.7,;-4.02,-1.99,;-2.53,-2.39,;-.2,-.39,;-.2,1.15,)|
Show InChI InChI=1S/C24H34N2O4/c1-18(2)30-20-8-6-19(7-9-20)26-16-14-23(22(26)28)10-12-24(29,13-11-23)17-25-15-4-3-5-21(25)27/h6-9,18,29H,3-5,10-17H2,1-2H3/t23-,24+
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n/an/a 27.4n/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 US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM120369
PNG
(US8703807, 5)
Show SMILES CC(C)Oc1ccc(cc1)N1CC[C@]2(CC[C@@](O)(COCC(F)F)CC2)C1=O |r,wU:13.27,16.17,wD:16.18,(7.2,2.13,;8.68,1.73,;9.77,2.82,;8.29,.24,;6.8,-.16,;6.4,-1.64,;4.91,-2.04,;3.82,-.95,;4.22,.53,;5.71,.93,;2.33,-1.35,;1.86,-2.82,;.32,-2.82,;-.16,-1.35,;-.56,.13,;-2.04,.53,;-3.13,-.56,;-3.53,.93,;-4.22,-1.64,;-5.71,-1.25,;-6.8,-2.34,;-8.29,-1.94,;-9.77,-1.54,;-7.89,-.45,;-2.73,-2.04,;-1.25,-2.44,;1.09,-.45,;1.09,1.09,)|
Show InChI InChI=1S/C21H29F2NO4/c1-15(2)28-17-5-3-16(4-6-17)24-12-11-20(19(24)25)7-9-21(26,10-8-20)14-27-13-18(22)23/h3-6,15,18,26H,7-14H2,1-2H3/t20-,21+
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n/an/a 16.3n/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 US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM120370
PNG
(US8703807, 6)
Show SMILES CC(C)Oc1ccc(cn1)N1CC[C@]2(CC[C@@](O)(CN3CCCC3=O)CC2)C1=O |r,wU:13.29,16.17,wD:16.18,(9.36,-.14,;7.87,-.54,;7.48,-2.03,;6.78,.55,;5.3,.15,;4.9,-1.34,;3.41,-1.74,;2.32,-.65,;2.72,.84,;4.21,1.24,;.83,-1.05,;.36,-2.51,;-1.18,-2.51,;-1.66,-1.05,;-1.66,.49,;-2.99,1.26,;-4.32,.49,;-5.09,1.83,;-5.66,-.28,;-6.99,.49,;-6.99,2.03,;-8.46,2.51,;-9.36,1.26,;-8.46,.02,;-9.23,-1.32,;-4.32,-1.05,;-2.99,-1.82,;-.41,-.14,;-.41,1.4,)|
Show InChI InChI=1S/C22H31N3O4/c1-16(2)29-18-6-5-17(14-23-18)25-13-11-21(20(25)27)7-9-22(28,10-8-21)15-24-12-3-4-19(24)26/h5-6,14,16,28H,3-4,7-13,15H2,1-2H3/t21-,22+
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n/an/a 264n/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 US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM120371
PNG
(US8703807, 7)
Show SMILES CC(C)Oc1ccc(cn1)N1CC[C@]2(CC[C@@](O)(COCC(F)(F)F)CC2)C1=O |r,wU:13.28,16.17,wD:16.18,(9.92,.7,;8.44,.3,;8.04,-1.19,;7.35,1.39,;5.86,.99,;5.46,-.5,;3.97,-.9,;2.88,.19,;3.28,1.68,;4.77,2.08,;1.4,-.21,;.92,-1.67,;-.62,-1.67,;-1.1,-.21,;-1.1,1.33,;-2.43,2.1,;-3.76,1.33,;-4.53,2.67,;-5.3,1.33,;-6.07,,;-7.61,,;-8.38,-1.33,;-9.92,-1.33,;-7.61,-2.67,;-9.15,-2.67,;-3.76,-.21,;-2.43,-.98,;.15,.7,;.15,2.24,)|
Show InChI InChI=1S/C20H27F3N2O4/c1-14(2)29-16-4-3-15(11-24-16)25-10-9-18(17(25)26)5-7-19(27,8-6-18)12-28-13-20(21,22)23/h3-4,11,14,27H,5-10,12-13H2,1-2H3/t18-,19+
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n/an/a 13.7n/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 US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM120372
PNG
(US8703807, 8)
Show SMILES O[C@H](c1ccc(cc1)N1CC[C@]2(CC[C@@](O)(CN3CCCC3=O)CC2)C1=O)C(F)(F)F |r,wU:11.27,1.0,14.15,wD:14.16,(7.24,1.92,;6.85,.44,;5.36,.04,;4.96,-1.45,;3.47,-1.85,;2.38,-.76,;2.78,.73,;4.27,1.13,;.9,-1.16,;.42,-2.62,;-1.12,-2.62,;-1.6,-1.16,;-1.6,.38,;-2.93,1.15,;-4.26,.38,;-5.6,1.15,;-5.6,-.39,;-6.93,.38,;-7.41,-1.08,;-8.95,-1.08,;-9.42,.38,;-8.18,1.29,;-8.95,2.62,;-4.26,-1.16,;-2.93,-1.93,;-.35,-.25,;-.35,1.29,;7.93,-.65,;9.42,-.25,;7.54,-2.14,;9.02,-1.74,)|
Show InChI InChI=1S/C22H27F3N2O4/c23-22(24,25)18(29)15-3-5-16(6-4-15)27-13-11-20(19(27)30)7-9-21(31,10-8-20)14-26-12-1-2-17(26)28/h3-6,18,29,31H,1-2,7-14H2/t18-,20-,21+/m1/s1
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n/an/a 213n/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 US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM120373
PNG
(US8703807, 9)
Show SMILES C[C@@H](Oc1ccc(cc1)N1CCC2(CC[C@@](O)(CN3CCCC3=O)CC2)C1=O)C(F)(F)F |r,wU:15.17,wD:1.0,15.16,(5.24,1.95,;6.33,.86,;5.93,-.63,;4.45,-1.02,;4.05,-2.51,;2.56,-2.91,;1.47,-1.82,;1.87,-.33,;3.36,.06,;-.02,-2.22,;-.49,-3.68,;-2.03,-3.68,;-2.51,-2.22,;-3.6,-3.31,;-5.08,-2.91,;-5.48,-1.42,;-6.57,-2.51,;-5.48,.12,;-6.82,.89,;-8.06,-.02,;-9.31,.89,;-8.83,2.35,;-7.29,2.35,;-6.52,3.68,;-4.39,-.33,;-2.91,-.73,;-1.26,-1.32,;-1.26,.22,;7.82,1.26,;8.91,.17,;9.31,1.66,;8.22,2.75,)|
Show InChI InChI=1S/C23H29F3N2O4/c1-16(23(24,25)26)32-18-6-4-17(5-7-18)28-14-12-21(20(28)30)8-10-22(31,11-9-21)15-27-13-2-3-19(27)29/h4-7,16,31H,2-3,8-15H2,1H3/t16-,21?,22-/m1/s1
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n/an/a 30.6n/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 US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM120374
PNG
(US8703807, 10)
Show SMILES C[C@H](Oc1ccc(cn1)N1CC[C@]2(CC[C@@](O)(CN3CCCC3=O)CC2)C1=O)C(F)(F)F |r,wU:15.16,wD:12.12,1.0,15.17,(6.68,-.75,;7.08,.74,;5.99,1.82,;4.5,1.43,;4.1,-.06,;2.61,-.46,;1.52,.63,;1.92,2.12,;3.41,2.52,;.04,.23,;-.44,-1.23,;-1.98,-1.23,;-2.46,.23,;-2.85,1.72,;-4.34,2.12,;-5.43,1.03,;-6.2,2.36,;-6.97,1.03,;-7.74,-.31,;-7.26,-1.77,;-8.51,-2.68,;-9.76,-1.77,;-9.28,-.31,;-10.05,1.03,;-5.03,-.46,;-3.54,-.86,;-1.21,1.14,;-1.21,2.68,;8.56,1.13,;8.96,2.62,;9.65,.05,;10.05,1.53,)|
Show InChI InChI=1S/C22H28F3N3O4/c1-15(22(23,24)25)32-17-5-4-16(13-26-17)28-12-10-20(19(28)30)6-8-21(31,9-7-20)14-27-11-2-3-18(27)29/h4-5,13,15,31H,2-3,6-12,14H2,1H3/t15-,20-,21+/m0/s1
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n/an/a 41.8n/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 US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM120375
PNG
(US8703807, 11)
Show SMILES C[C@H](Oc1ccc(cn1)N1CC[C@]2(CC[C@@](O)(COCCF)CC2)C1=O)C(F)(F)F |r,wU:15.16,wD:12.12,1.0,15.17,(7.55,-1.47,;7.95,.02,;6.86,1.1,;5.38,.71,;4.98,-.78,;3.49,-1.18,;2.4,-.09,;2.8,1.4,;4.29,1.79,;.91,-.49,;.44,-1.95,;-1.1,-1.95,;-1.58,-.49,;-1.98,1,;-3.46,1.4,;-4.55,.31,;-5.32,1.64,;-6.09,.31,;-6.86,-1.03,;-8.35,-.63,;-9.44,-1.72,;-10.93,-1.32,;-4.15,-1.18,;-2.67,-1.58,;-.33,.41,;-.33,1.95,;9.44,.41,;9.84,1.9,;10.53,-.68,;10.93,.81,)|
Show InChI InChI=1S/C20H26F4N2O4/c1-14(20(22,23)24)30-16-3-2-15(12-25-16)26-10-8-18(17(26)27)4-6-19(28,7-5-18)13-29-11-9-21/h2-3,12,14,28H,4-11,13H2,1H3/t14-,18-,19+/m0/s1
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n/an/a 10n/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 US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM120376
PNG
(US8703807, 12)
Show SMILES CC(C)Oc1ccc(cc1)N1CC[C@]2(CC[C@@](O)(COCCF)CC2)C1=O |r,wU:16.17,wD:13.13,16.18,(10.08,.62,;8.59,.22,;8.19,-1.27,;7.5,1.31,;6.01,.91,;5.61,-.58,;4.13,-.98,;3.04,.11,;3.44,1.6,;4.92,2,;1.55,-.29,;1.07,-1.75,;-.47,-1.75,;-.94,-.29,;-1.34,1.2,;-2.83,1.6,;-3.92,.51,;-4.69,1.84,;-5.46,.51,;-6.23,-.82,;-7.77,-.82,;-8.54,-2.16,;-10.08,-2.16,;-3.52,-.98,;-2.03,-1.38,;.3,.62,;.3,2.16,)|
Show InChI InChI=1S/C21H30FNO4/c1-16(2)27-18-5-3-17(4-6-18)23-13-11-20(19(23)24)7-9-21(25,10-8-20)15-26-14-12-22/h3-6,16,25H,7-15H2,1-2H3/t20-,21+
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n/an/a 37n/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 US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
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))
BDBM97631
PNG
(US8470843, 7)
Show SMILES OC1CN(CCC11CCN(C1=O)c1ccc(CC(F)(F)F)cc1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C22H22ClF3N2O4S/c23-17-3-1-2-4-18(17)33(31,32)27-11-9-21(19(29)14-27)10-12-28(20(21)30)16-7-5-15(6-8-16)13-22(24,25)26/h1-8,19,29H,9-14H2
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n/an/a 20n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM97630
PNG
(US8470843, 6)
Show SMILES CC(C)CS(=O)(=O)N1CCC2(CCN(C2=O)c2ccc(OC(F)(F)F)cc2)C(O)C1
Show InChI InChI=1S/C19H25F3N2O5S/c1-13(2)12-30(27,28)23-9-7-18(16(25)11-23)8-10-24(17(18)26)14-3-5-15(6-4-14)29-19(20,21)22/h3-6,13,16,25H,7-12H2,1-2H3
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n/an/a 90n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM97629
PNG
(US8470843, 5)
Show SMILES OC1CN(CCC11CCN(C1=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C18H21F3N2O5S/c19-18(20,21)28-13-3-1-12(2-4-13)23-10-8-17(16(23)25)7-9-22(11-15(17)24)29(26,27)14-5-6-14/h1-4,14-15,24H,5-11H2
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n/an/a 160n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM97628
PNG
(US8470843, 4)
Show SMILES OC1CN(CCC11CCN(C1=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C22H20F6N2O6S/c23-21(24,25)35-15-7-5-14(6-8-15)30-12-10-20(19(30)32)9-11-29(13-18(20)31)37(33,34)17-4-2-1-3-16(17)36-22(26,27)28/h1-8,18,31H,9-13H2
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n/an/a 10n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM97627
PNG
(US8470843, 3)
Show SMILES OC1CN(CCC11CCN(C1=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cccnc1Cl
Show InChI InChI=1S/C20H19ClF3N3O5S/c21-17-15(2-1-9-25-17)33(30,31)26-10-7-19(16(28)12-26)8-11-27(18(19)29)13-3-5-14(6-4-13)32-20(22,23)24/h1-6,9,16,28H,7-8,10-12H2
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n/an/a 20n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM97626
PNG
(US8470841, 2)
Show SMILES OC1CNCCC11CCN(C1=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H17F3N2O3/c16-15(17,18)23-11-3-1-10(2-4-11)20-8-6-14(13(20)22)5-7-19-9-12(14)21/h1-4,12,19,21H,5-9H2
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n/an/a 10n/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.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair
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