Found 12 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Hormone-sensitive lipase
(Homo sapiens (Human)) | BDBM120365
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | 7.2 | 4 |
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
(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 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.2 | 4 |
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
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 13.7 | n/a | n/a | n/a | n/a | 7.2 | 4 |
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
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 16.3 | n/a | n/a | n/a | n/a | 7.2 | 4 |
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
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 27.4 | n/a | n/a | n/a | n/a | 7.2 | 4 |
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
(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 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 30.6 | n/a | n/a | n/a | n/a | 7.2 | 4 |
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
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | 7.2 | 4 |
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
(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 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 41.8 | n/a | n/a | n/a | n/a | 7.2 | 4 |
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
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 50.9 | n/a | n/a | n/a | n/a | 7.2 | 4 |
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
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 68.1 | n/a | n/a | n/a | n/a | 7.2 | 4 |
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
(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 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 213 | n/a | n/a | n/a | n/a | 7.2 | 4 |
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
(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+ | Reactome pathway
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| US Patent
| n/a | n/a | 264 | n/a | n/a | n/a | n/a | 7.2 | 4 |
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 | |
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