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Patent code US8735395

Compile Data Set for Download or QSAR
Found 13 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
Cathepsin K


(Homo sapiens (Human))		BDBM123101
PNG
(US11312693, Example 5 | US8735395, 5)
Show SMILES CN1CCN(CC1)c1nc(c(F)s1)-c1ccc(cc1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|
Show InChI InChI=1S/C30H34FN5O4S/c1-3-18-16-36(25-22(37)17-40-26(18)25)29(39)24(19-6-4-5-7-19)32-28(38)21-10-8-20(9-11-21)23-27(31)41-30(33-23)35-14-12-34(2)13-15-35/h1,8-11,18-19,24-26H,4-7,12-17H2,2H3,(H,32,38)/t18-,24+,25-,26-/m1/s1
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 0.600n/an/an/an/an/an/a7.0n/a



Medivir AB

US Patent


Assay Description
Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM123098
PNG
(US10723709, Example 2 | US11312693, Example 2 | US...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|
Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1
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 1.10n/an/an/an/an/an/a7.0n/a



Medivir AB

US Patent


Assay Description
Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM123097
PNG
(US10723709, Example 1 | US11312693, Example 1 | US...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1csc(n1)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|
Show InChI InChI=1S/C29H35N5O4S/c1-5-19-15-34(25-24(35)16-38-26(19)25)28(37)22(14-18(2)3)30-27(36)21-8-6-20(7-9-21)23-17-39-29(31-23)33-12-10-32(4)11-13-33/h1,6-9,17-19,22,25-26H,10-16H2,2-4H3,(H,30,36)/t19-,22+,25-,26-/m1/s1
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 1.60n/an/an/an/an/an/a7.0n/a



Medivir AB

US Patent


Assay Description
Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM123100
PNG
(US10723709, Example 4 | US11312693, Example 4 | US...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(cc1)-c1nc(sc1F)-[#7]-1-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6@H]-2-[#8]-[#6]-[#6](=O)-[#6@@H]-1-2 |r|
Show InChI InChI=1S/C31H40FN5O4S/c1-18(2)14-22-16-37(26-24(38)17-41-27(22)26)30(40)23(15-19(3)4)33-29(39)21-8-6-20(7-9-21)25-28(32)42-31(34-25)36-12-10-35(5)11-13-36/h6-9,14,19,22-23,26-27H,10-13,15-17H2,1-5H3,(H,33,39)/t22-,23+,26-,27-/m1/s1
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 2.70n/an/an/an/an/an/a7.0n/a



Medivir AB

US Patent


Assay Description
Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM123099
PNG
(US10723709, Example 3 | US11312693, Example 3 | US...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(-c2csc(n2)N2CCN(C)CC2)c(F)c1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|
Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-14-35(25-24(36)15-39-26(18)25)28(38)22(12-17(2)3)31-27(37)19-6-7-20(21(30)13-19)23-16-40-29(32-23)34-10-8-33(4)9-11-34/h1,6-7,13,16-18,22,25-26H,8-12,14-15H2,2-4H3,(H,31,37)/t18-,22+,25-,26-/m1/s1
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 4n/an/an/an/an/an/a7.0n/a



Medivir AB

US Patent


Assay Description
Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM123100
PNG
(US10723709, Example 4 | US11312693, Example 4 | US...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(cc1)-c1nc(sc1F)-[#7]-1-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6@H]-2-[#8]-[#6]-[#6](=O)-[#6@@H]-1-2 |r|
Show InChI InChI=1S/C31H40FN5O4S/c1-18(2)14-22-16-37(26-24(38)17-41-27(22)26)30(40)23(15-19(3)4)33-29(39)21-8-6-20(7-9-21)25-28(32)42-31(34-25)36-12-10-35(5)11-13-36/h6-9,14,19,22-23,26-27H,10-13,15-17H2,1-5H3,(H,33,39)/t22-,23+,26-,27-/m1/s1
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 300n/an/an/an/an/an/an/an/a



Medivir AB

US Patent


Assay Description
The enzyme is commercially available human cathepsin L (for example Calbiochem). The substrate is H-D-Val-Leu-Lys-AMC available from Bahcem. The assa...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM123099
PNG
(US10723709, Example 3 | US11312693, Example 3 | US...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(-c2csc(n2)N2CCN(C)CC2)c(F)c1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|
Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-14-35(25-24(36)15-39-26(18)25)28(38)22(12-17(2)3)31-27(37)19-6-7-20(21(30)13-19)23-16-40-29(32-23)34-10-8-33(4)9-11-34/h1,6-7,13,16-18,22,25-26H,8-12,14-15H2,2-4H3,(H,31,37)/t18-,22+,25-,26-/m1/s1
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 1.40E+3n/an/an/an/an/an/an/an/a



Medivir AB

US Patent


Assay Description
The enzyme is commercially available human cathepsin L (for example Calbiochem). The substrate is H-D-Val-Leu-Lys-AMC available from Bahcem. The assa...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM123098
PNG
(US10723709, Example 2 | US11312693, Example 2 | US...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|
Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1
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 1.70E+3n/an/an/an/an/an/an/an/a



Medivir AB

US Patent


Assay Description
The enzyme is commercially available human cathepsin L (for example Calbiochem). The substrate is H-D-Val-Leu-Lys-AMC available from Bahcem. The assa...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM123097
PNG
(US10723709, Example 1 | US11312693, Example 1 | US...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1csc(n1)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|
Show InChI InChI=1S/C29H35N5O4S/c1-5-19-15-34(25-24(35)16-38-26(19)25)28(37)22(14-18(2)3)30-27(36)21-8-6-20(7-9-21)23-17-39-29(31-23)33-12-10-32(4)11-13-33/h1,6-9,17-19,22,25-26H,10-16H2,2-4H3,(H,30,36)/t19-,22+,25-,26-/m1/s1
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 2.00E+3n/an/an/an/an/an/an/an/a



Medivir AB

US Patent


Assay Description
The enzyme is commercially available human cathepsin L (for example Calbiochem). The substrate is H-D-Val-Leu-Lys-AMC available from Bahcem. The assa...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM123101
PNG
(US11312693, Example 5 | US8735395, 5)
Show SMILES CN1CCN(CC1)c1nc(c(F)s1)-c1ccc(cc1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|
Show InChI InChI=1S/C30H34FN5O4S/c1-3-18-16-36(25-22(37)17-40-26(18)25)29(39)24(19-6-4-5-7-19)32-28(38)21-10-8-20(9-11-21)23-27(31)41-30(33-23)35-14-12-34(2)13-15-35/h1,8-11,18-19,24-26H,4-7,12-17H2,2H3,(H,32,38)/t18-,24+,25-,26-/m1/s1
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 2.90E+3n/an/an/an/an/an/an/an/a



Medivir AB

US Patent


Assay Description
The assay uses baculovirus-expressed human cathepsin S and the boc-Val-Leu-Lys-AMC fluorescent substrate available from Bachem in a 384 well plate fo...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM123100
PNG
(US10723709, Example 4 | US11312693, Example 4 | US...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(cc1)-c1nc(sc1F)-[#7]-1-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6@H]-2-[#8]-[#6]-[#6](=O)-[#6@@H]-1-2 |r|
Show InChI InChI=1S/C31H40FN5O4S/c1-18(2)14-22-16-37(26-24(38)17-41-27(22)26)30(40)23(15-19(3)4)33-29(39)21-8-6-20(7-9-21)25-28(32)42-31(34-25)36-12-10-35(5)11-13-36/h6-9,14,19,22-23,26-27H,10-13,15-17H2,1-5H3,(H,33,39)/t22-,23+,26-,27-/m1/s1
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 1.45E+4n/an/an/an/an/an/an/an/a



Medivir AB

US Patent


Assay Description
The assay uses baculovirus-expressed human cathepsin S and the boc-Val-Leu-Lys-AMC fluorescent substrate available from Bachem in a 384 well plate fo...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM123098
PNG
(US10723709, Example 2 | US11312693, Example 2 | US...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|
Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1
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 2.10E+4n/an/an/an/an/an/an/an/a



Medivir AB

US Patent


Assay Description
The assay uses baculovirus-expressed human cathepsin S and the boc-Val-Leu-Lys-AMC fluorescent substrate available from Bachem in a 384 well plate fo...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM123097
PNG
(US10723709, Example 1 | US11312693, Example 1 | US...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1csc(n1)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r|
Show InChI InChI=1S/C29H35N5O4S/c1-5-19-15-34(25-24(35)16-38-26(19)25)28(37)22(14-18(2)3)30-27(36)21-8-6-20(7-9-21)23-17-39-29(31-23)33-12-10-32(4)11-13-33/h1,6-9,17-19,22,25-26H,10-16H2,2-4H3,(H,30,36)/t19-,22+,25-,26-/m1/s1
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 2.50E+4n/an/an/an/an/an/an/an/a



Medivir AB

US Patent


Assay Description
The assay uses baculovirus-expressed human cathepsin S and the boc-Val-Leu-Lys-AMC fluorescent substrate available from Bachem in a 384 well plate fo...

US Patent US8735395 (2014)


BindingDB Entry DOI: 10.7270/Q2QJ7G03
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%