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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6121   
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
Cathepsin K


(Homo sapiens (Human))
BDBM109862
PNG
(US8609681, 9)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)CC1)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C20H30F2N4O2/c1-18(21,22)13-15(16(27)25-20(14-23)7-8-20)24-17(28)26-11-9-19(10-12-26)5-3-2-4-6-19/h15H,2-13H2,1H3,(H,24,28)(H,25,27)/t15-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109839
PNG
(US8609681, 36)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCC2)CC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C19H28F2N4O2/c1-17(20,21)12-14(15(26)24-19(13-22)6-7-19)23-16(27)25-10-8-18(9-11-25)4-2-3-5-18/h14H,2-12H2,1H3,(H,23,27)(H,24,26)/t14-/m0/s1
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3n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109844
PNG
(US8609681, 53)
Show SMILES O=C(NC1(CCCCC1)C(=O)NC1(CC1)C#N)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C21H32N4O2/c22-16-20(10-11-20)23-17(26)21(8-2-1-3-9-21)24-18(27)25-14-12-19(13-15-25)6-4-5-7-19/h1-15H2,(H,23,26)(H,24,27)
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4.5n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109845
PNG
(US8609681, 56)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CCN(CC2)C2CC2)CC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C22H33F2N5O2/c1-20(23,24)14-17(18(30)27-22(15-25)4-5-22)26-19(31)29-12-8-21(9-13-29)6-10-28(11-7-21)16-2-3-16/h16-17H,2-14H2,1H3,(H,26,31)(H,27,30)/t17-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109855
PNG
(US8609681, 88)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CN(CC3CC3)C(=O)C2)CC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C22H31F2N5O3/c1-20(23,24)10-16(18(31)27-22(13-25)4-5-22)26-19(32)28-8-6-21(7-9-28)11-17(30)29(14-21)12-15-2-3-15/h15-16H,2-12,14H2,1H3,(H,26,32)(H,27,31)/t16-/m0/s1
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15n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109852
PNG
(US8609681, 79)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(C1)CCCc1ccccc21)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C23H28F2N4O2/c1-21(24,25)13-18(19(30)28-23(14-26)9-10-23)27-20(31)29-12-11-22(15-29)8-4-6-16-5-2-3-7-17(16)22/h2-3,5,7,18H,4,6,8-13,15H2,1H3,(H,27,31)(H,28,30)/t18-,22?/m0/s1
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16n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109840
PNG
(US8609681, 37)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)OCCO2)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C17H24F2N4O4/c1-15(18,19)10-12(13(24)22-16(11-20)2-3-16)21-14(25)23-6-4-17(5-7-23)26-8-9-27-17/h12H,2-10H2,1H3,(H,21,25)(H,22,24)/t12-/m0/s1
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21n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109842
PNG
(US8609681, 45)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)NCC(C)(C)CO2)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C20H31F2N5O3/c1-17(2)12-24-20(30-13-17)6-8-27(9-7-20)16(29)25-14(10-18(3,21)22)15(28)26-19(11-23)4-5-19/h14,24H,4-10,12-13H2,1-3H3,(H,25,29)(H,26,28)/t14-/m0/s1
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21n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109846
PNG
(US8609681, 63)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CC2)CC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C17H24F2N4O2/c1-15(18,19)10-12(13(24)22-17(11-20)4-5-17)21-14(25)23-8-6-16(2-3-16)7-9-23/h12H,2-10H2,1H3,(H,21,25)(H,22,24)/t12-/m0/s1
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22n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109857
PNG
(US8609681, 94)
Show SMILES CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CCN(CC2)C2CC2)CC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H37F2N5O2/c1-2-5-24(25,26)16-19(20(32)29-23(17-27)6-7-23)28-21(33)31-14-10-22(11-15-31)8-12-30(13-9-22)18-3-4-18/h18-19H,2-16H2,1H3,(H,28,33)(H,29,32)/t19-/m0/s1
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24n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109854
PNG
(US8609681, 83)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CC2(C1)CCN(CC2)C1CC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C20H29F2N5O2/c1-18(21,22)10-15(16(28)25-20(11-23)4-5-20)24-17(29)27-12-19(13-27)6-8-26(9-7-19)14-2-3-14/h14-15H,2-10,12-13H2,1H3,(H,24,29)(H,25,28)/t15-/m0/s1
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28n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109861
PNG
(US8609681, 35)
Show SMILES CC(C)C[C@H](NC(=O)C1CCC2(CC1)OCCO2)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C19H29N3O4/c1-13(2)11-15(17(24)22-18(12-20)7-8-18)21-16(23)14-3-5-19(6-4-14)25-9-10-26-19/h13-15H,3-11H2,1-2H3,(H,21,23)(H,22,24)/t15-/m0/s1
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31n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109841
PNG
(US8609681, 42)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C23H28F2N6O3/c1-21(24,25)13-17(18(32)29-22(14-26)7-8-22)28-20(34)30-11-9-23(10-12-30)19(33)27-15-31(23)16-5-3-2-4-6-16/h2-6,17H,7-13,15H2,1H3,(H,27,33)(H,28,34)(H,29,32)/t17-/m0/s1
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32n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109859
PNG
(US8609681, 102)
Show SMILES CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC2)CC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C19H28F2N4O2/c1-2-3-19(20,21)12-14(15(26)24-18(13-22)6-7-18)23-16(27)25-10-8-17(4-5-17)9-11-25/h14H,2-12H2,1H3,(H,23,27)(H,24,26)/t14-/m0/s1
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33n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109853
PNG
(US8609681, 80)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCOC11CCCCC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C18H26F2N4O3/c1-16(19,20)11-13(14(25)23-17(12-21)7-8-17)22-15(26)24-9-10-27-18(24)5-3-2-4-6-18/h13H,2-11H2,1H3,(H,22,26)(H,23,25)/t13-/m0/s1
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36n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109851
PNG
(US8609681, 78)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)OCc1ccccc21)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C22H26F2N4O3/c1-20(23,24)12-17(18(29)27-21(14-25)6-7-21)26-19(30)28-10-8-22(9-11-28)16-5-3-2-4-15(16)13-31-22/h2-5,17H,6-13H2,1H3,(H,26,30)(H,27,29)/t17-/m0/s1
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38n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109856
PNG
(US8609681, 91)
Show SMILES CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CCN(C2)c2ccc(OC)cc2)CC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C27H37F2N5O3/c1-3-8-27(28,29)17-22(23(35)32-26(18-30)9-10-26)31-24(36)33-14-11-25(12-15-33)13-16-34(19-25)20-4-6-21(37-2)7-5-20/h4-7,22H,3,8-17,19H2,1-2H3,(H,31,36)(H,32,35)/t22-/m0/s1
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43n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109849
PNG
(US8609681, 76)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CCC(C)(C)O2)CC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C20H30F2N4O3/c1-17(2)4-7-20(29-17)8-10-26(11-9-20)16(28)24-14(12-18(3,21)22)15(27)25-19(13-23)5-6-19/h14H,4-12H2,1-3H3,(H,24,28)(H,25,27)/t14-/m0/s1
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47n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109843
PNG
(US8609681, 49)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CCN(Cc3ccccc3)C2=O)CC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H31F2N5O3/c1-23(26,27)15-19(20(33)30-25(17-28)7-8-25)29-22(35)31-12-9-24(10-13-31)11-14-32(21(24)34)16-18-5-3-2-4-6-18/h2-6,19H,7-16H2,1H3,(H,29,35)(H,30,33)/t19-/m0/s1
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52n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109860
PNG
(US8609681, 103)
Show SMILES CN1CCC(CC1)(NC(=O)[C@H](CC(C)(F)F)NC(=O)N1CCC2(CC2)CC1)C#N |r|
Show InChI InChI=1S/C20H31F2N5O2/c1-18(21,22)13-15(16(28)25-20(14-23)7-9-26(2)10-8-20)24-17(29)27-11-5-19(3-4-19)6-12-27/h15H,3-13H2,1-2H3,(H,24,29)(H,25,28)/t15-/m0/s1
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84n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109848
PNG
(US8609681, 74)
Show SMILES CC(F)(F)C[C@H](NS(=O)(=O)N1CCC2(CCCC2)CC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C18H28F2N4O3S/c1-16(19,20)12-14(15(25)22-18(13-21)6-7-18)23-28(26,27)24-10-8-17(9-11-24)4-2-3-5-17/h14,23H,2-12H2,1H3,(H,22,25)/t14-/m0/s1
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150n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109858
PNG
(US8609681, 97)
Show SMILES FC(F)(C[C@H](NC(=O)N1CCC2(CCN(CC2)C2CC2)CC1)C(=O)NC1(CC1)C#N)Cc1ccccc1 |r|
Show InChI InChI=1S/C28H37F2N5O2/c29-28(30,18-21-4-2-1-3-5-21)19-23(24(36)33-27(20-31)8-9-27)32-25(37)35-16-12-26(13-17-35)10-14-34(15-11-26)22-6-7-22/h1-5,22-23H,6-19H2,(H,32,37)(H,33,36)/t23-/m0/s1
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400n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM109847
PNG
(US8609681, 70)
Show SMILES FC(F)(C[C@H](NC(=O)N1CCC2(CC2)CC1)C(=O)NC1(CC1)C#N)Cc1ccccc1 |r|
Show InChI InChI=1S/C23H28F2N4O2/c24-23(25,14-17-4-2-1-3-5-17)15-18(19(30)28-22(16-26)8-9-22)27-20(31)29-12-10-21(6-7-21)11-13-29/h1-5,18H,6-15H2,(H,27,31)(H,28,30)/t18-/m0/s1
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910n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair