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Patent code US9328118

Compile Data Set for Download or QSAR
Found 159 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 S


(Mus musculus (Mouse))
BDBM225125
PNG
(US9328118, 26)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C23H25F3N6O/c1-3-32-9-6-15(7-10-32)8-11-33-18-5-4-16(12-17(18)23(24,25)26)20-21-22(31(2)14-28-21)30-19(13-27)29-20/h4-5,12,14-15H,3,6-11H2,1-2H3
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UniChem
US Patent
n/an/a 0.610n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225138
PNG
(US9328118, 39)
Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C22H24F3N7O/c1-3-32-7-4-14(5-8-32)6-9-33-21-16(22(23,24)25)10-15(12-27-21)18-19-20(31(2)13-28-19)30-17(11-26)29-18/h10,12-14H,3-9H2,1-2H3
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US Patent
n/an/a 0.610n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225225
PNG
(US9328118, 158)
Show SMILES CN1CCC[C@@H]1C(=O)N1CC[C@H](C1)OCCOc1ncc(cc1C(F)(F)F)-c1nc(nc2n(C)ccc12)C#N
Show InChI InChI=1S/C26H28F3N7O3/c1-34-7-3-4-20(34)25(37)36-9-5-17(15-36)38-10-11-39-24-19(26(27,28)29)12-16(14-31-24)22-18-6-8-35(2)23(18)33-21(13-30)32-22/h6,8,12,14,17,20H,3-5,7,9-11,15H2,1-2H3/t17-,20-/m1/s1
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US Patent
n/an/a 0.620n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225209
PNG
(US9328118, 141)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCN(CC2)C2CCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N7O/c1-33-14-30-21-20(31-19(12-28)32-22(21)33)16-11-18(24(25,26)27)23(29-13-16)35-10-7-15-5-8-34(9-6-15)17-3-2-4-17/h11,13-15,17H,2-10H2,1H3
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US Patent
n/an/a 0.650n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225128
PNG
(US9328118, 29)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C27H30F3N7O2/c1-35-10-3-4-20(35)26(38)37-11-7-17(8-12-37)9-13-39-21-6-5-18(14-19(21)27(28,29)30)23-24-25(36(2)16-32-24)34-22(15-31)33-23/h5-6,14,16-17,20H,3-4,7-13H2,1-2H3/t20-/m0/s1
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US Patent
n/an/a 0.660n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225109
PNG
(US9328118, 6)
Show SMILES CN1CCC[C@@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C27H30F3N7O2/c1-35-10-3-4-20(35)26(38)37-11-7-17(8-12-37)9-13-39-21-6-5-18(14-19(21)27(28,29)30)23-24-25(36(2)16-32-24)34-22(15-31)33-23/h5-6,14,16-17,20H,3-4,7-13H2,1-2H3/t20-/m1/s1
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US Patent
n/an/a 0.690n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225119
PNG
(US9328118, 19)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O/c1-30-12-27-19-18(28-17(11-25)29-20(19)30)14-2-3-16(15(10-14)21(22,23)24)31-9-6-13-4-7-26-8-5-13/h2-3,10,12-13,26H,4-9H2,1H3
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US Patent
n/an/a 0.700n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225156
PNG
(US9328118, 72)
Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C24H28F3N8O2/c1-32(2)21(36)14-34-9-6-16(7-10-34)8-11-37-19-5-4-17(12-18(19)24(25,26)27)35-22-23(33(3)15-29-22)30-20(13-28)31-35/h4-5,12,15-16H,6-11,14H2,1-3H3
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US Patent
n/an/a 0.730n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225154
PNG
(US9328118, 70)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)cnc23)C#N)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-2-35-9-5-18(6-10-35)8-12-38-22-4-3-20(13-21(22)27(28,29)30)24-25-26(34-23(14-31)33-24)36(17-32-25)15-19-7-11-37-16-19/h3-4,13,17-19H,2,5-12,15-16H2,1H3
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US Patent
n/an/a 0.760n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225123
PNG
(US9328118, 24)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CCO)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N6O2/c1-31-14-28-21-20(29-19(13-27)30-22(21)31)16-2-3-18(17(12-16)23(24,25)26)34-11-6-15-4-7-32(8-5-15)9-10-33/h2-3,12,14-15,33H,4-11H2,1H3
PDB
MMDB

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US Patent
n/an/a 0.760n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225123
PNG
(US9328118, 24)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CCO)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N6O2/c1-31-14-28-21-20(29-19(13-27)30-22(21)31)16-2-3-18(17(12-16)23(24,25)26)34-11-6-15-4-7-32(8-5-15)9-10-33/h2-3,12,14-15,33H,4-11H2,1H3
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US Patent
n/an/a 0.800n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225127
PNG
(US9328118, 28)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N7O/c1-30-11-27-17-16(28-15(9-24)29-18(17)30)13-8-14(20(21,22)23)19(26-10-13)31-7-4-12-2-5-25-6-3-12/h8,10-12,25H,2-7H2,1H3
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n/an/a 0.810n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225139
PNG
(US9328118, 40)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C26H29F3N8O2/c1-35-8-3-4-19(35)25(38)37-9-5-16(6-10-37)7-11-39-24-18(26(27,28)29)12-17(14-31-24)21-22-23(36(2)15-32-22)34-20(13-30)33-21/h12,14-16,19H,3-11H2,1-2H3/t19-/m0/s1
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US Patent
n/an/a 0.850n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225202
PNG
(US9328118, 122)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC(=O)N3CC[C@H](F)C3)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H29F4N7O2/c1-36-16-33-25-24(34-22(13-32)35-26(25)36)18-2-3-21(20(12-18)27(29,30)31)40-11-7-17-4-8-37(9-5-17)15-23(39)38-10-6-19(28)14-38/h2-3,12,16-17,19H,4-11,14-15H2,1H3/t19-/m0/s1
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US Patent
n/an/a 0.870n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225203
PNG
(US9328118, 135)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCC2CCN(CC2)C(=O)C2CCN(CC(C)(C)O)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H36F3N7O3/c1-29(2,42)18-39-10-6-20(7-11-39)28(41)40-12-4-19(5-13-40)17-43-27-23(30(31,32)33)14-21(16-35-27)25-22-8-9-38(3)26(22)37-24(15-34)36-25/h8-9,14,16,19-20,42H,4-7,10-13,17-18H2,1-3H3
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US Patent
n/an/a 0.890n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225190
PNG
(US9328118, 110)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CCO)ccc23)C#N)CC1
Show InChI InChI=1S/C25H28F3N5O2/c1-2-32-9-5-17(6-10-32)8-14-35-21-4-3-18(15-20(21)25(26,27)28)23-19-7-11-33(12-13-34)24(19)31-22(16-29)30-23/h3-4,7,11,15,17,34H,2,5-6,8-10,12-14H2,1H3
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US Patent
n/an/a 0.910n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225185
PNG
(US9328118, 105)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C31H35F3N6O3/c1-38-10-2-3-25(38)30(41)39-11-6-20(7-12-39)19-43-26-5-4-22(15-24(26)31(32,33)34)28-23-8-13-40(17-21-9-14-42-18-21)29(23)37-27(16-35)36-28/h4-5,8,13,15,20-21,25H,2-3,6-7,9-12,14,17-19H2,1H3/t21?,25-/m0/s1
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US Patent
n/an/a 0.910n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225148
PNG
(US9328118, 54)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C28H32F3N5O2/c1-2-35-10-5-19(6-11-35)9-14-38-24-4-3-21(15-23(24)28(29,30)31)26-22-7-12-36(17-20-8-13-37-18-20)27(22)34-25(16-32)33-26/h3-4,7,12,15,19-20H,2,5-6,8-11,13-14,17-18H2,1H3
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n/an/a 0.940n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225129
PNG
(US9328118, 30)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C32H37F3N6O3/c1-39-11-2-3-26(39)31(42)40-12-6-21(7-13-40)10-16-44-27-5-4-23(17-25(27)32(33,34)35)29-24-8-14-41(19-22-9-15-43-20-22)30(24)38-28(18-36)37-29/h4-5,8,14,17,21-22,26H,2-3,6-7,9-13,15-16,19-20H2,1H3/t22?,26-/m0/s1
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n/an/a 0.970n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225107
PNG
(US9328118, 3)
Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)CC1
Show InChI InChI=1S/C26H29F3N6O2/c1-33(2)23(36)16-35-11-6-17(7-12-35)9-13-37-21-5-4-18(14-20(21)26(27,28)29)24-19-8-10-34(3)25(19)32-22(15-30)31-24/h4-5,8,10,14,17H,6-7,9,11-13,16H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225205
PNG
(US9328118, 137)
Show SMILES CN1CCC[C@@H]1C(=O)N1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C26H29F3N8O2/c1-35-8-3-4-19(35)25(38)37-9-5-16(6-10-37)7-11-39-24-18(26(27,28)29)12-17(14-31-24)21-22-23(36(2)15-32-22)34-20(13-30)33-21/h12,14-16,19H,3-11H2,1-2H3/t19-/m1/s1
PDB
MMDB

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US Patent
n/an/a 1n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225213
PNG
(US9328118, 145)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCN(CC2)C(CF)CF)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H24F5N7O/c1-34-13-31-20-19(32-18(11-29)33-21(20)34)15-8-17(23(26,27)28)22(30-12-15)36-7-4-14-2-5-35(6-3-14)16(9-24)10-25/h8,12-14,16H,2-7,9-10H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225200
PNG
(US9328118, 120)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC(=O)N3CCC(CC3)C#N)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H31F3N8O2/c1-38-18-35-27-26(36-24(16-34)37-28(27)38)21-2-3-23(22(14-21)29(30,31)32)42-13-8-19-4-9-39(10-5-19)17-25(41)40-11-6-20(15-33)7-12-40/h2-3,14,18-20H,4-13,17H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225121
PNG
(US9328118, 21)
Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CCO)ccc23)C#N)CC1
Show InChI InChI=1S/C27H31F3N6O3/c1-34(2)24(38)17-35-9-5-18(6-10-35)8-14-39-22-4-3-19(15-21(22)27(28,29)30)25-20-7-11-36(12-13-37)26(20)33-23(16-31)32-25/h3-4,7,11,15,18,37H,5-6,8-10,12-14,17H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225138
PNG
(US9328118, 39)
Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C22H24F3N7O/c1-3-32-7-4-14(5-8-32)6-9-33-21-16(22(23,24)25)10-15(12-27-21)18-19-20(31(2)13-28-19)30-17(11-26)29-18/h10,12-14H,3-9H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225140
PNG
(US9328118, 41)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)CC1
Show InChI InChI=1S/C27H30F3N7O2/c1-35-9-3-4-21(35)26(38)37-11-5-17(6-12-37)8-13-39-25-20(27(28,29)30)14-18(16-32-25)23-19-7-10-36(2)24(19)34-22(15-31)33-23/h7,10,14,16-17,21H,3-6,8-9,11-13H2,1-2H3/t21-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225106
PNG
(US9328118, 2)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O/c1-30-10-6-16-20(28-19(13-26)29-21(16)30)15-2-3-18(17(12-15)22(23,24)25)31-11-7-14-4-8-27-9-5-14/h2-3,6,10,12,14,27H,4-5,7-9,11H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225125
PNG
(US9328118, 26)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C23H25F3N6O/c1-3-32-9-6-15(7-10-32)8-11-33-18-5-4-16(12-17(18)23(24,25)26)20-21-22(31(2)14-28-21)30-19(13-27)29-20/h4-5,12,14-15H,3,6-11H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225168
PNG
(US9328118, 84)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCNC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N5O/c1-29-8-5-15-19(27-18(11-25)28-20(15)29)14-2-3-17(16(10-14)21(22,23)24)30-9-6-13-4-7-26-12-13/h2-3,5,8,10,13,26H,4,6-7,9,12H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225155
PNG
(US9328118, 71)
Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)cnc23)C#N)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-2-35-7-3-17(4-8-35)6-10-38-25-20(26(27,28)29)11-19(13-31-25)22-23-24(34-21(12-30)33-22)36(16-32-23)14-18-5-9-37-15-18/h11,13,16-18H,2-10,14-15H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225126
PNG
(US9328118, 27)
Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)CC1
Show InChI InChI=1S/C23H25F3N6O/c1-3-32-9-4-15(5-10-32)7-11-33-22-18(23(24,25)26)12-16(14-28-22)20-17-6-8-31(2)21(17)30-19(13-27)29-20/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225163
PNG
(US9328118, 79)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)cnc23)C#N)CC1
Show InChI InChI=1S/C30H35F3N8O3/c1-39-8-2-3-23(39)29(42)40-9-4-19(5-10-40)7-12-44-28-22(30(31,32)33)13-21(15-35-28)25-26-27(38-24(14-34)37-25)41(18-36-26)16-20-6-11-43-17-20/h13,15,18-20,23H,2-12,16-17H2,1H3/t20?,23-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225127
PNG
(US9328118, 28)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N7O/c1-30-11-27-17-16(28-15(9-24)29-18(17)30)13-8-14(20(21,22)23)19(26-10-13)31-7-4-12-2-5-25-6-3-12/h8,10-12,25H,2-7H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225161
PNG
(US9328118, 77)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)cnc23)C#N)CC1
Show InChI InChI=1S/C31H36F3N7O3/c1-39-10-2-3-24(39)30(42)40-11-6-20(7-12-40)9-14-44-25-5-4-22(15-23(25)31(32,33)34)27-28-29(38-26(16-35)37-27)41(19-36-28)17-21-8-13-43-18-21/h4-5,15,19-21,24H,2-3,6-14,17-18H2,1H3/t21?,24-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225210
PNG
(US9328118, 142)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCN3CCCC3C2)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N7O/c1-32-13-29-20-19(30-18(11-27)31-21(20)32)15-10-17(23(24,25)26)22(28-12-15)34-8-5-14-4-7-33-6-2-3-16(33)9-14/h10,12-14,16H,2-9H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225204
PNG
(US9328118, 136)
Show SMILES CN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C21H22F3N7O/c1-30-6-3-13(4-7-30)5-8-32-20-15(21(22,23)24)9-14(11-26-20)17-18-19(31(2)12-27-18)29-16(10-25)28-17/h9,11-13H,3-8H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225222
PNG
(US9328118, 155)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCC2CCN(CC(C)(C)O)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N6O2/c1-23(2,34)14-33-8-4-15(5-9-33)13-35-22-18(24(25,26)27)10-16(12-29-22)20-17-6-7-32(3)21(17)31-19(11-28)30-20/h6-7,10,12,15,34H,4-5,8-9,13-14H2,1-3H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225211
PNG
(US9328118, 143)
Show SMILES CN1CCC[C@@H]1C(=O)N1CC[C@@H](C1)OCCOc1ncc(cc1C(F)(F)F)-c1nc(nc2n(C)ccc12)C#N
Show InChI InChI=1S/C26H28F3N7O3/c1-34-7-3-4-20(34)25(37)36-9-5-17(15-36)38-10-11-39-24-19(26(27,28)29)12-16(14-31-24)22-18-6-8-35(2)23(18)33-21(13-30)32-22/h6,8,12,14,17,20H,3-5,7,9-11,15H2,1-2H3/t17-,20+/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225220
PNG
(US9328118, 153)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N6O/c1-29-7-4-14-17(27-16(9-24)28-18(14)29)13-8-15(20(21,22)23)19(26-10-13)30-11-12-2-5-25-6-3-12/h4,7-8,10,12,25H,2-3,5-6,11H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225111
PNG
(US9328118, 8)
Show SMILES CN1CCN(CC1)C(=O)Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCOCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N6O3/c1-35-9-11-36(12-10-35)25(38)18-37-8-4-21-26(33-24(17-32)34-27(21)37)20-2-3-23(22(16-20)28(29,30)31)40-15-7-19-5-13-39-14-6-19/h2-4,8,16,19H,5-7,9-15,18H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225124
PNG
(US9328118, 25)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC(=O)N3CCCC3)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H30F3N7O2/c1-35-17-32-25-24(33-22(15-31)34-26(25)35)19-4-5-21(20(14-19)27(28,29)30)39-13-8-18-6-11-36(12-7-18)16-23(38)37-9-2-3-10-37/h4-5,14,17-18H,2-3,6-13,16H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225156
PNG
(US9328118, 72)
Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C24H28F3N8O2/c1-32(2)21(36)14-34-9-6-16(7-10-34)8-11-37-19-5-4-17(12-18(19)24(25,26)27)35-22-23(33(3)15-29-22)30-20(13-28)31-35/h4-5,12,15-16H,6-11,14H2,1-3H3
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US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225202
PNG
(US9328118, 122)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC(=O)N3CC[C@H](F)C3)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H29F4N7O2/c1-36-16-33-25-24(34-22(13-32)35-26(25)36)18-2-3-21(20(12-18)27(29,30)31)40-11-7-17-4-8-37(9-5-17)15-23(39)38-10-6-19(28)14-38/h2-3,12,16-17,19H,4-11,14-15H2,1H3/t19-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225133
PNG
(US9328118, 34)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(SCCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5S/c1-30-10-6-16-20(28-19(13-26)29-21(16)30)15-2-3-18(17(12-15)22(23,24)25)31-11-7-14-4-8-27-9-5-14/h2-3,6,10,12,14,27H,4-5,7-9,11H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225119
PNG
(US9328118, 19)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O/c1-30-12-27-19-18(28-17(11-25)29-20(19)30)14-2-3-16(15(10-14)21(22,23)24)31-9-6-13-4-7-26-8-5-13/h2-3,10,12-13,26H,4-9H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225218
PNG
(US9328118, 150)
Show SMILES CN1CCC[C@H]1C(=O)N1CC[C@@H](C1)OCCOc1ncc(cc1C(F)(F)F)-c1nc(nc2n(C)ccc12)C#N
Show InChI InChI=1S/C26H28F3N7O3/c1-34-7-3-4-20(34)25(37)36-9-5-17(15-36)38-10-11-39-24-19(26(27,28)29)12-16(14-31-24)22-18-6-8-35(2)23(18)33-21(13-30)32-22/h6,8,12,14,17,20H,3-5,7,9-11,15H2,1-2H3/t17-,20-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225196
PNG
(US9328118, 116)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O/c1-30-8-4-15-18(28-17(11-25)29-19(15)30)14-10-16(21(22,23)24)20(27-12-14)31-9-5-13-2-6-26-7-3-13/h4,8,10,12-13,26H,2-3,5-7,9H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225147
PNG
(US9328118, 52)
Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-2-35-8-3-18(4-9-35)7-12-38-26-22(27(28,29)30)13-20(15-32-26)24-21-5-10-36(16-19-6-11-37-17-19)25(21)34-23(14-31)33-24/h5,10,13,15,18-19H,2-4,6-9,11-12,16-17H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225193
PNG
(US9328118, 113)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cc(F)c(OCCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N6O/c1-31-11-28-18-17(29-16(10-26)30-20(18)31)13-8-14(21(23,24)25)19(15(22)9-13)32-7-4-12-2-5-27-6-3-12/h8-9,11-12,27H,2-7H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225122
PNG
(US9328118, 23)
Show SMILES FC(F)(F)c1cc(ccc1OCCC1CCNCC1)-c1nc(nc2n(CC3CCOC3)ccc12)C#N
Show InChI InChI=1S/C26H28F3N5O2/c27-26(28,29)21-13-19(1-2-22(21)36-12-7-17-3-8-31-9-4-17)24-20-5-10-34(15-18-6-11-35-16-18)25(20)33-23(14-30)32-24/h1-2,5,10,13,17-18,31H,3-4,6-9,11-12,15-16H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225121
PNG
(US9328118, 21)
Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CCO)ccc23)C#N)CC1
Show InChI InChI=1S/C27H31F3N6O3/c1-34(2)24(38)17-35-9-5-18(6-10-35)8-14-39-22-4-3-19(15-21(22)27(28,29)30)25-20-7-11-36(12-13-37)26(20)33-23(16-31)32-25/h3-4,7,11,15,18,37H,5-6,8-10,12-14,17H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225113
PNG
(US9328118, 11)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)c(C)nc23)C#N)CC1
Show InChI InChI=1S/C24H27F3N6O/c1-4-33-10-7-16(8-11-33)9-12-34-19-6-5-17(13-18(19)24(25,26)27)21-22-23(31-20(14-28)30-21)32(3)15(2)29-22/h5-6,13,16H,4,7-12H2,1-3H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225126
PNG
(US9328118, 27)
Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)CC1
Show InChI InChI=1S/C23H25F3N6O/c1-3-32-9-4-15(5-10-32)7-11-33-22-18(23(24,25)26)12-16(14-28-22)20-17-6-8-31(2)21(17)30-19(13-27)29-20/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225169
PNG
(US9328118, 86)
Show SMILES FC(F)(F)c1cc(ccc1OCC1CCNCC1)-c1nc(nc2n(CC3CCOC3)ccc12)C#N
Show InChI InChI=1S/C25H26F3N5O2/c26-25(27,28)20-11-18(1-2-21(20)35-15-16-3-7-30-8-4-16)23-19-5-9-33(13-17-6-10-34-14-17)24(19)32-22(12-29)31-23/h1-2,5,9,11,16-17,30H,3-4,6-8,10,13-15H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225209
PNG
(US9328118, 141)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCN(CC2)C2CCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N7O/c1-33-14-30-21-20(31-19(12-28)32-22(21)33)16-11-18(24(25,26)27)23(29-13-16)35-10-7-15-5-8-34(9-6-15)17-3-2-4-17/h11,13-15,17H,2-10H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225182
PNG
(US9328118, 102)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC(N)=O)ccc23)C#N)CC1
Show InChI InChI=1S/C25H27F3N6O2/c1-2-33-9-5-16(6-10-33)8-12-36-20-4-3-17(13-19(20)25(26,27)28)23-18-7-11-34(15-21(30)35)24(18)32-22(14-29)31-23/h3-4,7,11,13,16H,2,5-6,8-10,12,15H2,1H3,(H2,30,35)
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225175
PNG
(US9328118, 92)
Show SMILES CCN1CCC(CC1)OCCOc1ccc(cc1C(F)(F)F)-c1nc(nc2n(C)ccc12)C#N
Show InChI InChI=1S/C24H26F3N5O2/c1-3-32-10-6-17(7-11-32)33-12-13-34-20-5-4-16(14-19(20)24(25,26)27)22-18-8-9-31(2)23(18)30-21(15-28)29-22/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225144
PNG
(US9328118, 47)
Show SMILES CN1CCC(CC1)NC(=O)Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCOCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H33F3N6O3/c1-37-10-4-21(5-11-37)34-26(39)18-38-12-6-22-27(35-25(17-33)36-28(22)38)20-2-3-24(23(16-20)29(30,31)32)41-15-9-19-7-13-40-14-8-19/h2-3,6,12,16,19,21H,4-5,7-11,13-15,18H2,1H3,(H,34,39)
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225155
PNG
(US9328118, 71)
Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)cnc23)C#N)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-2-35-7-3-17(4-8-35)6-10-38-25-20(26(27,28)29)11-19(13-31-25)22-23-24(34-21(12-30)33-22)36(16-32-23)14-18-5-9-37-15-18/h11,13,16-18H,2-10,14-15H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225150
PNG
(US9328118, 58)
Show SMILES FC(F)(F)c1cc(ccc1OCCC1CCNCC1)-c1nc(nc2n(CC3CCCO3)ccc12)C#N
Show InChI InChI=1S/C26H28F3N5O2/c27-26(28,29)21-14-18(3-4-22(21)36-13-8-17-5-9-31-10-6-17)24-20-7-11-34(16-19-2-1-12-35-19)25(20)33-23(15-30)32-24/h3-4,7,11,14,17,19,31H,1-2,5-6,8-10,12-13,16H2
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225157
PNG
(US9328118, 73)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC2)C(C)(C)C)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H30F3N5O/c1-25(2,3)34-12-7-17(8-13-34)10-14-35-21-6-5-18(15-20(21)26(27,28)29)23-19-9-11-33(4)24(19)32-22(16-30)31-23/h5-6,9,11,15,17H,7-8,10,12-14H2,1-4H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225134
PNG
(US9328118, 35)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCOC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O2/c1-30-9-6-16-20(28-19(13-26)29-21(16)30)14-2-3-18(17(12-14)22(23,24)25)32-11-10-31-15-4-7-27-8-5-15/h2-3,6,9,12,15,27H,4-5,7-8,10-11H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225117
PNG
(US9328118, 15)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCCO4)ccc23)C#N)CC1
Show InChI InChI=1S/C32H37F3N6O3/c1-39-12-2-5-26(39)31(42)40-13-8-21(9-14-40)11-17-44-27-7-6-22(18-25(27)32(33,34)35)29-24-10-15-41(20-23-4-3-16-43-23)30(24)38-28(19-36)37-29/h6-7,10,15,18,21,23,26H,2-5,8-9,11-14,16-17,20H2,1H3/t23?,26-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225207
PNG
(US9328118, 139)
Show SMILES CC(C)N1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C23H26F3N7O/c1-14(2)33-7-4-15(5-8-33)6-9-34-22-17(23(24,25)26)10-16(12-28-22)19-20-21(32(3)13-29-20)31-18(11-27)30-19/h10,12-15H,4-9H2,1-3H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225208
PNG
(US9328118, 140)
Show SMILES CC(C)N1CCC[C@H]1C(=O)N1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C28H33F3N8O2/c1-17(2)39-9-4-5-21(39)27(40)38-10-6-18(7-11-38)8-12-41-26-20(28(29,30)31)13-19(15-33-26)23-24-25(37(3)16-34-24)36-22(14-32)35-23/h13,15-18,21H,4-12H2,1-3H3/t21-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225224
PNG
(US9328118, 157)
Show SMILES CN1CCC[C@H]1C(=O)N1CC[C@H](C1)OCCOc1ncc(cc1C(F)(F)F)-c1nc(nc2n(C)ccc12)C#N
Show InChI InChI=1S/C26H28F3N7O3/c1-34-7-3-4-20(34)25(37)36-9-5-17(15-36)38-10-11-39-24-19(26(27,28)29)12-16(14-31-24)22-18-6-8-35(2)23(18)33-21(13-30)32-22/h6,8,12,14,17,20H,3-5,7,9-11,15H2,1-2H3/t17-,20+/m1/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225152
PNG
(US9328118, 66)
Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C30H35F3N6O3/c1-37(2)27(40)18-38-10-5-20(6-11-38)9-14-42-25-4-3-22(15-24(25)30(31,32)33)28-23-7-12-39(17-21-8-13-41-19-21)29(23)36-26(16-34)35-28/h3-4,7,12,15,20-21H,5-6,8-11,13-14,17-19H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225200
PNG
(US9328118, 120)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC(=O)N3CCC(CC3)C#N)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H31F3N8O2/c1-38-18-35-27-26(36-24(16-34)37-28(27)38)21-2-3-23(22(14-21)29(30,31)32)42-13-8-19-4-9-39(10-5-19)17-25(41)40-11-6-20(15-33)7-12-40/h2-3,14,18-20H,4-13,17H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225203
PNG
(US9328118, 135)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCC2CCN(CC2)C(=O)C2CCN(CC(C)(C)O)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H36F3N7O3/c1-29(2,42)18-39-10-6-20(7-11-39)28(41)40-12-4-19(5-13-40)17-43-27-23(30(31,32)33)14-21(16-35-27)25-22-8-9-38(3)26(22)37-24(15-34)36-25/h8-9,14,16,19-20,42H,4-7,10-13,17-18H2,1-3H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225144
PNG
(US9328118, 47)
Show SMILES CN1CCC(CC1)NC(=O)Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCOCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H33F3N6O3/c1-37-10-4-21(5-11-37)34-26(39)18-38-12-6-22-27(35-25(17-33)36-28(22)38)20-2-3-24(23(16-20)29(30,31)32)41-15-9-19-7-13-40-14-8-19/h2-3,6,12,16,19,21H,4-5,7-11,13-15,18H2,1H3,(H,34,39)
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225174
PNG
(US9328118, 91)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)C1
Show InChI InChI=1S/C23H24F3N5O/c1-3-31-10-6-15(14-31)8-11-32-19-5-4-16(12-18(19)23(24,25)26)21-17-7-9-30(2)22(17)29-20(13-27)28-21/h4-5,7,9,12,15H,3,6,8,10-11,14H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225176
PNG
(US9328118, 93)
Show SMILES CN1CCC[C@H]1C(=O)N1CC(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)C1
Show InChI InChI=1S/C25H25F3N6O2/c1-32-8-3-4-19(32)24(35)34-12-15(13-34)14-36-20-6-5-16(10-18(20)25(26,27)28)22-17-7-9-33(2)23(17)31-21(11-29)30-22/h5-7,9-10,15,19H,3-4,8,12-14H2,1-2H3/t19-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225154
PNG
(US9328118, 70)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)cnc23)C#N)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-2-35-9-5-18(6-10-35)8-12-38-22-4-3-20(13-21(22)27(28,29)30)24-25-26(34-23(14-31)33-24)36(17-32-25)15-19-7-11-37-16-19/h3-4,13,17-19H,2,5-12,15-16H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225153
PNG
(US9328118, 68)
Show SMILES FC(F)(F)c1cc(ccc1OCCC1CCNCC1)-c1nc(nc2[nH]ccc12)C#N
Show InChI InChI=1S/C21H20F3N5O/c22-21(23,24)16-11-14(19-15-5-9-27-20(15)29-18(12-25)28-19)1-2-17(16)30-10-6-13-3-7-26-8-4-13/h1-2,5,9,11,13,26H,3-4,6-8,10H2,(H,27,28,29)
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225219
PNG
(US9328118, 152)
Show SMILES CN(C)C(=O)CN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)CC1
Show InChI InChI=1S/C25H28F3N7O2/c1-33(2)21(36)15-35-9-4-16(5-10-35)7-11-37-24-19(25(26,27)28)12-17(14-30-24)22-18-6-8-34(3)23(18)32-20(13-29)31-22/h6,8,12,14,16H,4-5,7,9-11,15H2,1-3H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225185
PNG
(US9328118, 105)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C31H35F3N6O3/c1-38-10-2-3-25(38)30(41)39-11-6-20(7-12-39)19-43-26-5-4-22(15-24(26)31(32,33)34)28-23-8-13-40(17-21-9-14-42-18-21)29(23)37-27(16-35)36-28/h4-5,8,13,15,20-21,25H,2-3,6-7,9-12,14,17-19H2,1H3/t21?,25-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225158
PNG
(US9328118, 74)
Show SMILES CN(C1CCN(C)C1)C(=O)Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCOCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H33F3N6O3/c1-36-10-5-21(17-36)37(2)26(39)18-38-11-6-22-27(34-25(16-33)35-28(22)38)20-3-4-24(23(15-20)29(30,31)32)41-14-9-19-7-12-40-13-8-19/h3-4,6,11,15,19,21H,5,7-10,12-14,17-18H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225178
PNG
(US9328118, 95)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)C1
Show InChI InChI=1S/C27H29F3N6O2/c1-34-10-3-4-21(34)26(37)36-12-7-17(16-36)9-13-38-22-6-5-18(14-20(22)27(28,29)30)24-19-8-11-35(2)25(19)33-23(15-31)32-24/h5-6,8,11,14,17,21H,3-4,7,9-10,12-13,16H2,1-2H3/t17?,21-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225198
PNG
(US9328118, 118)
Show SMILES CN1CCC(C1)C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C27H30F3N7O2/c1-35-9-7-19(15-35)26(38)37-10-5-17(6-11-37)8-12-39-21-4-3-18(13-20(21)27(28,29)30)23-24-25(36(2)16-32-24)34-22(14-31)33-23/h3-4,13,16-17,19H,5-12,15H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225116
PNG
(US9328118, 14)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC2)C2CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O/c1-32-10-8-19-23(30-22(15-29)31-24(19)32)17-2-5-21(20(14-17)25(26,27)28)34-13-9-16-6-11-33(12-7-16)18-3-4-18/h2,5,8,10,14,16,18H,3-4,6-7,9,11-13H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225190
PNG
(US9328118, 110)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CCO)ccc23)C#N)CC1
Show InChI InChI=1S/C25H28F3N5O2/c1-2-32-9-5-17(6-10-32)8-14-35-21-4-3-18(15-20(21)25(26,27)28)23-19-7-11-33(12-13-34)24(19)31-22(16-29)30-23/h3-4,7,11,15,17,34H,2,5-6,8-10,12-14H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225197
PNG
(US9328118, 117)
Show SMILES CN1C[C@@H](O)C[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C27H30F3N7O3/c1-35-14-18(38)12-20(35)26(39)37-8-5-16(6-9-37)7-10-40-21-4-3-17(11-19(21)27(28,29)30)23-24-25(36(2)15-32-24)34-22(13-31)33-23/h3-4,11,15-16,18,20,38H,5-10,12,14H2,1-2H3/t18-,20-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225106
PNG
(US9328118, 2)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O/c1-30-10-6-16-20(28-19(13-26)29-21(16)30)15-2-3-18(17(12-15)22(23,24)25)31-11-7-14-4-8-27-9-5-14/h2-3,6,10,12,14,27H,4-5,7-9,11H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225171
PNG
(US9328118, 88)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCCO4)ccc23)C#N)CC1
Show InChI InChI=1S/C28H32F3N5O2/c1-2-35-11-7-19(8-12-35)10-15-38-24-6-5-20(16-23(24)28(29,30)31)26-22-9-13-36(18-21-4-3-14-37-21)27(22)34-25(17-32)33-26/h5-6,9,13,16,19,21H,2-4,7-8,10-12,14-15,18H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225131
PNG
(US9328118, 32)
Show SMILES Cc1nnc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3nc(nc4n(C)cnc34)C#N)CC2)o1
Show InChI InChI=1S/C25H25F3N8O2/c1-15-33-34-21(38-15)13-36-8-5-16(6-9-36)7-10-37-19-4-3-17(11-18(19)25(26,27)28)22-23-24(35(2)14-30-23)32-20(12-29)31-22/h3-4,11,14,16H,5-10,13H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225215
PNG
(US9328118, 147)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCCOC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O2/c1-30-7-4-15-18(28-17(11-25)29-19(15)30)13-10-16(21(22,23)24)20(27-12-13)32-9-8-31-14-2-5-26-6-3-14/h4,7,10,12,14,26H,2-3,5-6,8-9H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225171
PNG
(US9328118, 88)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCCO4)ccc23)C#N)CC1
Show InChI InChI=1S/C28H32F3N5O2/c1-2-35-11-7-19(8-12-35)10-15-38-24-6-5-20(16-23(24)28(29,30)31)26-22-9-13-36(18-21-4-3-14-37-21)27(22)34-25(17-32)33-26/h5-6,9,13,16,19,21H,2-4,7-8,10-12,14-15,18H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225201
PNG
(US9328118, 121)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC(=O)N3CCC(F)(F)C3)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F5N7O2/c1-37-16-34-24-23(35-21(13-33)36-25(24)37)18-2-3-20(19(12-18)27(30,31)32)41-11-6-17-4-8-38(9-5-17)14-22(40)39-10-7-26(28,29)15-39/h2-3,12,16-17H,4-11,14-15H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225221
PNG
(US9328118, 154)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCC2CCN(CC2)C(=O)[C@@H]2CCCN2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N7O2/c1-34-8-6-17-21(32-20(12-29)33-22(17)34)16-11-18(25(26,27)28)23(31-13-16)37-14-15-4-9-35(10-5-15)24(36)19-3-2-7-30-19/h6,8,11,13,15,19,30H,2-5,7,9-10,14H2,1H3/t19-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225227
PNG
(US9328118, 160)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCC2CCN(CC2)C(=O)C2CCN(CC2)C2CCOCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H36F3N7O3/c1-39-9-6-24-27(37-26(17-35)38-28(24)39)22-16-25(31(32,33)34)29(36-18-22)44-19-20-2-10-41(11-3-20)30(42)21-4-12-40(13-5-21)23-7-14-43-15-8-23/h6,9,16,18,20-21,23H,2-5,7-8,10-15,19H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225225
PNG
(US9328118, 158)
Show SMILES CN1CCC[C@@H]1C(=O)N1CC[C@H](C1)OCCOc1ncc(cc1C(F)(F)F)-c1nc(nc2n(C)ccc12)C#N
Show InChI InChI=1S/C26H28F3N7O3/c1-34-7-3-4-20(34)25(37)36-9-5-17(15-36)38-10-11-39-24-19(26(27,28)29)12-16(14-31-24)22-18-6-8-35(2)23(18)33-21(13-30)32-22/h6,8,12,14,17,20H,3-5,7,9-11,15H2,1-2H3/t17-,20-/m1/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225223
PNG
(US9328118, 156)
Show SMILES CC(C)N1CCC[C@H]1C(=O)N1CCC(COc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)CC1
Show InChI InChI=1S/C28H32F3N7O2/c1-17(2)38-9-4-5-22(38)27(39)37-11-6-18(7-12-37)16-40-26-21(28(29,30)31)13-19(15-33-26)24-20-8-10-36(3)25(20)35-23(14-32)34-24/h8,10,13,15,17-18,22H,4-7,9,11-12,16H2,1-3H3/t22-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225189
PNG
(US9328118, 109)
Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(CC(=O)N4CCOCC4)ccc23)C#N)CC1
Show InChI InChI=1S/C28H32F3N7O3/c1-2-36-7-3-19(4-8-36)6-12-41-27-22(28(29,30)31)15-20(17-33-27)25-21-5-9-38(26(21)35-23(16-32)34-25)18-24(39)37-10-13-40-14-11-37/h5,9,15,17,19H,2-4,6-8,10-14,18H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225196
PNG
(US9328118, 116)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O/c1-30-8-4-15-18(28-17(11-25)29-19(15)30)14-10-16(21(22,23)24)20(27-12-14)31-9-5-13-2-6-26-7-3-13/h4,8,10,12-13,26H,2-3,5-7,9H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225159
PNG
(US9328118, 75)
Show SMILES FC(F)(F)c1cc(ccc1OCCC1CCOCC1)-c1nc(nc2n(CC(=O)N3CCC(CN4CCCC4)CC3)ccc12)C#N
Show InChI InChI=1S/C33H39F3N6O3/c34-33(35,36)27-19-25(3-4-28(27)45-18-10-23-8-16-44-17-9-23)31-26-7-15-42(32(26)39-29(20-37)38-31)22-30(43)41-13-5-24(6-14-41)21-40-11-1-2-12-40/h3-4,7,15,19,23-24H,1-2,5-6,8-14,16-18,21-22H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225163
PNG
(US9328118, 79)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)cnc23)C#N)CC1
Show InChI InChI=1S/C30H35F3N8O3/c1-39-8-2-3-23(39)29(42)40-9-4-19(5-10-40)7-12-44-28-22(30(31,32)33)13-21(15-35-28)25-26-27(38-24(14-34)37-25)41(18-36-26)16-20-6-11-43-17-20/h13,15,18-20,23H,2-12,16-17H2,1H3/t20?,23-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225162
PNG
(US9328118, 78)
Show SMILES FC(F)(F)c1cc(ccc1OCCC1CCNCC1)-c1nc(nc2n(ccc12)C1CCOCC1)C#N
Show InChI InChI=1S/C26H28F3N5O2/c27-26(28,29)21-15-18(1-2-22(21)36-14-6-17-3-9-31-10-4-17)24-20-5-11-34(19-7-12-35-13-8-19)25(20)33-23(16-30)32-24/h1-2,5,11,15,17,19,31H,3-4,6-10,12-14H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225147
PNG
(US9328118, 52)
Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-2-35-8-3-18(4-9-35)7-12-38-26-22(27(28,29)30)13-20(15-32-26)24-21-5-10-36(16-19-6-11-37-17-19)25(21)34-23(14-31)33-24/h5,10,13,15,18-19H,2-4,6-9,11-12,16-17H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225143
PNG
(US9328118, 45)
Show SMILES CCN1CCN(CC1)C(=O)COc1ccc(cc1C(F)(F)F)-c1nc(nc2n(C)cnc12)C#N
Show InChI InChI=1S/C22H22F3N7O2/c1-3-31-6-8-32(9-7-31)18(33)12-34-16-5-4-14(10-15(16)22(23,24)25)19-20-21(30(2)13-27-20)29-17(11-26)28-19/h4-5,10,13H,3,6-9,12H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225107
PNG
(US9328118, 3)
Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)CC1
Show InChI InChI=1S/C26H29F3N6O2/c1-33(2)23(36)16-35-11-6-17(7-12-35)9-13-37-21-5-4-18(14-20(21)26(27,28)29)24-19-8-10-34(3)25(19)32-22(15-30)31-24/h4-5,8,10,14,17H,6-7,9,11-13,16H2,1-3H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225150
PNG
(US9328118, 58)
Show SMILES FC(F)(F)c1cc(ccc1OCCC1CCNCC1)-c1nc(nc2n(CC3CCCO3)ccc12)C#N
Show InChI InChI=1S/C26H28F3N5O2/c27-26(28,29)21-14-18(3-4-22(21)36-13-8-17-5-9-31-10-6-17)24-20-7-11-34(16-19-2-1-12-35-19)25(20)33-23(15-30)32-24/h3-4,7,11,14,17,19,31H,1-2,5-6,8-10,12-13,16H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225145
PNG
(US9328118, 50)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCCC2CCCNC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O/c1-30-7-4-15-18(28-17(10-25)29-19(15)30)14-9-16(21(22,23)24)20(27-12-14)31-8-5-13-3-2-6-26-11-13/h4,7,9,12-13,26H,2-3,5-6,8,11H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225114
PNG
(US9328118, 12)
Show SMILES CCN1CCCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)C1
Show InChI InChI=1S/C23H25F3N6O/c1-3-32-8-4-5-15(14-32)7-10-33-22-18(23(24,25)26)11-16(13-28-22)20-17-6-9-31(2)21(17)30-19(12-27)29-20/h6,9,11,13,15H,3-5,7-8,10,14H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225130
PNG
(US9328118, 31)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC#N)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N7O/c1-32-14-29-21-20(30-19(13-28)31-22(21)32)16-2-3-18(17(12-16)23(24,25)26)34-11-6-15-4-8-33(9-5-15)10-7-27/h2-3,12,14-15H,4-6,8-11H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225226
PNG
(US9328118, 159)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCC2CCN(CC2)C(=O)C2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N7O2/c1-35-9-6-19-22(33-21(13-30)34-23(19)35)18-12-20(26(27,28)29)24(32-14-18)38-15-16-4-10-36(11-5-16)25(37)17-2-7-31-8-3-17/h6,9,12,14,16-17,31H,2-5,7-8,10-11,15H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225170
PNG
(US9328118, 87)
Show SMILES CCN1CCC(CCOc2ccc(cc2C#N)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C28H32N6O2/c1-2-33-10-5-20(6-11-33)9-14-36-25-4-3-22(15-23(25)16-29)27-24-7-12-34(18-21-8-13-35-19-21)28(24)32-26(17-30)31-27/h3-4,7,12,15,20-21H,2,5-6,8-11,13-14,18-19H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225161
PNG
(US9328118, 77)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)cnc23)C#N)CC1
Show InChI InChI=1S/C31H36F3N7O3/c1-39-10-2-3-24(39)30(42)40-11-6-20(7-12-40)9-14-44-25-5-4-22(15-23(25)31(32,33)34)27-28-29(38-26(16-35)37-27)41(19-36-28)17-21-8-13-43-18-21/h4-5,15,19-21,24H,2-3,6-14,17-18H2,1H3/t21?,24-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225206
PNG
(US9328118, 138)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCN(CC2)C(=O)C2CCCN2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N8O2/c1-35-14-32-21-20(33-19(12-29)34-22(21)35)16-11-17(25(26,27)28)23(31-13-16)38-10-6-15-4-8-36(9-5-15)24(37)18-3-2-7-30-18/h11,13-15,18,30H,2-10H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225217
PNG
(US9328118, 149)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CC1)OCCOc1ncc(cc1C(F)(F)F)-c1nc(nc2n(C)ccc12)C#N
Show InChI InChI=1S/C27H30F3N7O3/c1-35-8-3-4-21(35)26(38)37-10-5-18(6-11-37)39-12-13-40-25-20(27(28,29)30)14-17(16-32-25)23-19-7-9-36(2)24(19)34-22(15-31)33-23/h7,9,14,16,18,21H,3-6,8,10-13H2,1-2H3/t21-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225199
PNG
(US9328118, 119)
Show SMILES CN1CCC(CC1)C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C28H32F3N7O2/c1-36-10-7-19(8-11-36)27(39)38-12-5-18(6-13-38)9-14-40-22-4-3-20(15-21(22)28(29,30)31)24-25-26(37(2)17-33-25)35-23(16-32)34-24/h3-4,15,17-19H,5-14H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225115
PNG
(US9328118, 13)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CCOC)ccc23)C#N)CC1
Show InChI InChI=1S/C26H30F3N5O2/c1-3-33-10-6-18(7-11-33)9-14-36-22-5-4-19(16-21(22)26(27,28)29)24-20-8-12-34(13-15-35-2)25(20)32-23(17-30)31-24/h4-5,8,12,16,18H,3,6-7,9-11,13-15H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225112
PNG
(US9328118, 10)
Show SMILES Cc1nc2c(nc(nc2n1C)C#N)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N6O/c1-13-28-20-19(29-18(12-26)30-21(20)31(13)2)15-3-4-17(16(11-15)22(23,24)25)32-10-7-14-5-8-27-9-6-14/h3-4,11,14,27H,5-10H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225216
PNG
(US9328118, 148)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCCO[C@H]2CCNC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N6O2/c1-29-5-3-14-17(27-16(9-24)28-18(14)29)12-8-15(20(21,22)23)19(26-10-12)31-7-6-30-13-2-4-25-11-13/h3,5,8,10,13,25H,2,4,6-7,11H2,1H3/t13-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225212
PNG
(US9328118, 144)
Show SMILES CC(C)CN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C24H28F3N7O/c1-15(2)13-34-7-4-16(5-8-34)6-9-35-23-18(24(25,26)27)10-17(12-29-23)20-21-22(33(3)14-30-21)32-19(11-28)31-20/h10,12,14-16H,4-9,13H2,1-3H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225186
PNG
(US9328118, 106)
Show SMILES CCN1CCC(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C27H30F3N5O2/c1-2-34-9-5-18(6-10-34)17-37-23-4-3-20(13-22(23)27(28,29)30)25-21-7-11-35(15-19-8-12-36-16-19)26(21)33-24(14-31)32-25/h3-4,7,11,13,18-19H,2,5-6,8-10,12,15-17H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225181
PNG
(US9328118, 101)
Show SMILES FC(F)(F)c1cc(ccc1OCCC1CCNCC1)-c1nc(nc2n(ccc12)C1CCOC1)C#N
Show InChI InChI=1S/C25H26F3N5O2/c26-25(27,28)20-13-17(1-2-21(20)35-12-6-16-3-8-30-9-4-16)23-19-5-10-33(18-7-11-34-15-18)24(19)32-22(14-29)31-23/h1-2,5,10,13,16,18,30H,3-4,6-9,11-12,15H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225152
PNG
(US9328118, 66)
Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C30H35F3N6O3/c1-37(2)27(40)18-38-10-5-20(6-11-38)9-14-42-25-4-3-22(15-24(25)30(31,32)33)28-23-7-12-39(17-21-8-13-41-19-21)29(23)36-26(16-34)35-28/h3-4,7,12,15,20-21H,5-6,8-11,13-14,17-19H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225141
PNG
(US9328118, 42)
Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(nc2n(CC(=O)NC3CCN(C)CC3)ccc12)C#N
Show InChI InChI=1S/C24H25F3N6O2/c1-3-35-19-5-4-15(12-18(19)24(25,26)27)22-17-8-11-33(23(17)31-20(13-28)30-22)14-21(34)29-16-6-9-32(2)10-7-16/h4-5,8,11-12,16H,3,6-7,9-10,14H2,1-2H3,(H,29,34)
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225194
PNG
(US9328118, 114)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(ccc23)C2COC2)C#N)CC1
Show InChI InChI=1S/C26H28F3N5O2/c1-2-33-9-5-17(6-10-33)8-12-36-22-4-3-18(13-21(22)26(27,28)29)24-20-7-11-34(19-15-35-16-19)25(20)32-23(14-30)31-24/h3-4,7,11,13,17,19H,2,5-6,8-10,12,15-16H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225160
PNG
(US9328118, 76)
Show SMILES CCn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O/c1-2-31-11-7-17-21(29-20(14-27)30-22(17)31)16-3-4-19(18(13-16)23(24,25)26)32-12-8-15-5-9-28-10-6-15/h3-4,7,11,13,15,28H,2,5-6,8-10,12H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225122
PNG
(US9328118, 23)
Show SMILES FC(F)(F)c1cc(ccc1OCCC1CCNCC1)-c1nc(nc2n(CC3CCOC3)ccc12)C#N
Show InChI InChI=1S/C26H28F3N5O2/c27-26(28,29)21-13-19(1-2-22(21)36-12-7-17-3-8-31-9-4-17)24-20-5-10-34(15-18-6-11-35-16-18)25(20)33-23(14-30)32-24/h1-2,5,10,13,17-18,31H,3-4,6-9,11-12,15-16H2
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225173
PNG
(US9328118, 90)
Show SMILES CCN1CCCC(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)C1
Show InChI InChI=1S/C23H24F3N5O/c1-3-31-9-4-5-15(13-31)14-32-19-7-6-16(11-18(19)23(24,25)26)21-17-8-10-30(2)22(17)29-20(12-27)28-21/h6-8,10-11,15H,3-5,9,13-14H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225172
PNG
(US9328118, 89)
Show SMILES CCN1CC(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)C1
Show InChI InChI=1S/C21H20F3N5O/c1-3-29-10-13(11-29)12-30-17-5-4-14(8-16(17)21(22,23)24)19-15-6-7-28(2)20(15)27-18(9-25)26-19/h4-8,13H,3,10-12H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225187
PNG
(US9328118, 107)
Show SMILES FC(F)(F)c1cc(cnc1OCCC1CCNCC1)-c1nc(nc2n(CC(=O)N3CCOCC3)ccc12)C#N
Show InChI InChI=1S/C26H28F3N7O3/c27-26(28,29)20-13-18(15-32-25(20)39-10-4-17-1-5-31-6-2-17)23-19-3-7-36(24(19)34-21(14-30)33-23)16-22(37)35-8-11-38-12-9-35/h3,7,13,15,17,31H,1-2,4-6,8-12,16H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225151
PNG
(US9328118, 65)
Show SMILES OCCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C28H32F3N5O3/c29-28(30,31)23-15-21(1-2-24(23)39-14-7-19-3-8-35(9-4-19)11-12-37)26-22-5-10-36(17-20-6-13-38-18-20)27(22)34-25(16-32)33-26/h1-2,5,10,15,19-20,37H,3-4,6-9,11-14,17-18H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225139
PNG
(US9328118, 40)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C26H29F3N8O2/c1-35-8-3-4-19(35)25(38)37-9-5-16(6-10-37)7-11-39-24-18(26(27,28)29)12-17(14-31-24)21-22-23(36(2)15-32-22)34-20(13-30)33-21/h12,14-16,19H,3-11H2,1-2H3/t19-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225167
PNG
(US9328118, 83)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCC2CCCNC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N5O/c1-29-8-6-15-19(27-18(10-25)28-20(15)29)14-4-5-17(16(9-14)21(22,23)24)30-12-13-3-2-7-26-11-13/h4-6,8-9,13,26H,2-3,7,11-12H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225188
PNG
(US9328118, 108)
Show SMILES OCCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCCO4)ccc23)C#N)CC1
Show InChI InChI=1S/C28H32F3N5O3/c29-28(30,31)23-16-20(3-4-24(23)39-15-8-19-5-9-35(10-6-19)12-13-37)26-22-7-11-36(18-21-2-1-14-38-21)27(22)34-25(17-32)33-26/h3-4,7,11,16,19,21,37H,1-2,5-6,8-10,12-15,18H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225165
PNG
(US9328118, 81)
Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOCC4)ccc23)C#N)CC1
Show InChI InChI=1S/C28H33F3N6O2/c1-2-36-9-3-19(4-10-36)8-14-39-27-23(28(29,30)31)15-21(17-33-27)25-22-5-11-37(18-20-6-12-38-13-7-20)26(22)35-24(16-32)34-25/h5,11,15,17,19-20H,2-4,6-10,12-14,18H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225214
PNG
(US9328118, 146)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCN(CC2)C(C)(C)C)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H28F3N7O/c1-23(2,3)34-8-5-15(6-9-34)7-10-35-22-17(24(25,26)27)11-16(13-29-22)19-20-21(33(4)14-30-20)32-18(12-28)31-19/h11,13-15H,5-10H2,1-4H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))
BDBM225186
PNG
(US9328118, 106)
Show SMILES CCN1CCC(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C27H30F3N5O2/c1-2-34-9-5-18(6-10-34)17-37-23-4-3-20(13-22(23)27(28,29)30)25-21-7-11-35(15-19-8-12-36-16-19)26(21)33-24(14-31)32-25/h3-4,7,11,13,18-19H,2,5-6,8-10,12,15-17H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225195
PNG
(US9328118, 115)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(ccc23)C2COC2)C#N)CC1
Show InChI InChI=1S/C30H33F3N6O3/c1-37-10-2-3-24(37)29(40)38-11-6-19(7-12-38)9-14-42-25-5-4-20(15-23(25)30(31,32)33)27-22-8-13-39(21-17-41-18-21)28(22)36-26(16-34)35-27/h4-5,8,13,15,19,21,24H,2-3,6-7,9-12,14,17-18H2,1H3/t24-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225149
PNG
(US9328118, 56)
Show SMILES Cn1c(nc2c(nc(nc12)C#N)-c1cnc(OCCC2CCNCC2)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6N7O/c1-34-17-16(33-19(34)21(25,26)27)15(31-14(9-28)32-17)12-8-13(20(22,23)24)18(30-10-12)35-7-4-11-2-5-29-6-3-11/h8,10-11,29H,2-7H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225229
PNG
(US9328118, 85)
Show SMILES N#Cc1nc(-c2ccc(OCCC3CCNCC3)c(c2)C#N)c2ccn(CC3CCOC3)c2n1
Show InChI InChI=1S/C26H28N6O2/c27-14-21-13-20(1-2-23(21)34-12-7-18-3-8-29-9-4-18)25-22-5-10-32(16-19-6-11-33-17-19)26(22)31-24(15-28)30-25/h1-2,5,10,13,18-19,29H,3-4,6-9,11-12,16-17H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225117
PNG
(US9328118, 15)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCCO4)ccc23)C#N)CC1
Show InChI InChI=1S/C32H37F3N6O3/c1-39-12-2-5-26(39)31(42)40-13-8-21(9-14-40)11-17-44-27-7-6-22(18-25(27)32(33,34)35)29-24-10-15-41(20-23-4-3-16-43-23)30(24)38-28(19-36)37-29/h6-7,10,15,18,21,23,26H,2-5,8-9,11-14,16-17,20H2,1H3/t23?,26-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225109
PNG
(US9328118, 6)
Show SMILES CN1CCC[C@@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C27H30F3N7O2/c1-35-10-3-4-20(35)26(38)37-11-7-17(8-12-37)9-13-39-21-6-5-18(14-19(21)27(28,29)30)23-24-25(36(2)16-32-24)34-22(15-31)33-23/h5-6,14,16-17,20H,3-4,7-13H2,1-2H3/t20-/m1/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225146
PNG
(US9328118, 51)
Show SMILES FC(F)(F)c1cc(cnc1OCCC1CCNCC1)-c1nc(nc2n(CC3CCOC3)ccc12)C#N
Show InChI InChI=1S/C25H27F3N6O2/c26-25(27,28)20-11-18(13-31-24(20)36-10-5-16-1-6-30-7-2-16)22-19-3-8-34(14-17-4-9-35-15-17)23(19)33-21(12-29)32-22/h3,8,11,13,16-17,30H,1-2,4-7,9-10,14-15H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225128
PNG
(US9328118, 29)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C27H30F3N7O2/c1-35-10-3-4-20(35)26(38)37-11-7-17(8-12-37)9-13-39-21-6-5-18(14-19(21)27(28,29)30)23-24-25(36(2)16-32-24)34-22(15-31)33-23/h5-6,14,16-17,20H,3-4,7-13H2,1-2H3/t20-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225164
PNG
(US9328118, 80)
Show SMILES FC(F)(F)c1cc(cnc1OCCC1CCNCC1)-c1nc(nc2n(CC3CCOCC3)ccc12)C#N
Show InChI InChI=1S/C26H29F3N6O2/c27-26(28,29)21-13-19(15-32-25(21)37-12-6-17-1-7-31-8-2-17)23-20-3-9-35(16-18-4-10-36-11-5-18)24(20)34-22(14-30)33-23/h3,9,13,15,17-18,31H,1-2,4-8,10-12,16H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225142
PNG
(US9328118, 44)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCC2(C)CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O/c1-21(6-8-27-9-7-21)13-31-17-4-3-14(11-16(17)22(23,24)25)19-15-5-10-30(2)20(15)29-18(12-26)28-19/h3-5,10-11,27H,6-9,13H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225136
PNG
(US9328118, 37)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CC3CCC(C2)N3)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N5O/c1-32-8-6-18-22(30-21(13-28)31-23(18)32)15-2-5-20(19(12-15)24(25,26)27)33-9-7-14-10-16-3-4-17(11-14)29-16/h2,5-6,8,12,14,16-17,29H,3-4,7,9-11H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225177
PNG
(US9328118, 94)
Show SMILES CN1CCC[C@H]1C(=O)N1CCCC(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)C1
Show InChI InChI=1S/C27H29F3N6O2/c1-34-10-4-6-21(34)26(37)36-11-3-5-17(15-36)16-38-22-8-7-18(13-20(22)27(28,29)30)24-19-9-12-35(2)25(19)33-23(14-31)32-24/h7-9,12-13,17,21H,3-6,10-11,15-16H2,1-2H3/t17?,21-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225183
PNG
(US9328118, 103)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC)ccc23)C#N)CC1
Show InChI InChI=1S/C25H28F3N5O/c1-3-32-11-7-17(8-12-32)10-14-34-21-6-5-18(15-20(21)25(26,27)28)23-19-9-13-33(4-2)24(19)31-22(16-29)30-23/h5-6,9,13,15,17H,3-4,7-8,10-12,14H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225120
PNG
(US9328118, 20)
Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(nc2n(C)cnc12)C#N
Show InChI InChI=1S/C16H12F3N5O/c1-3-25-11-5-4-9(6-10(11)16(17,18)19)13-14-15(24(2)8-21-14)23-12(7-20)22-13/h4-6,8H,3H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225180
PNG
(US9328118, 97)
Show SMILES CCN1CCC(C)(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)CC1
Show InChI InChI=1S/C24H26F3N5O/c1-4-32-11-8-23(2,9-12-32)15-33-19-6-5-16(13-18(19)24(25,26)27)21-17-7-10-31(3)22(17)30-20(14-28)29-21/h5-7,10,13H,4,8-9,11-12,15H2,1-3H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225148
PNG
(US9328118, 54)
Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C28H32F3N5O2/c1-2-35-10-5-19(6-11-35)9-14-38-24-4-3-21(15-23(24)28(29,30)31)26-22-7-12-36(17-20-8-13-37-18-20)27(22)34-25(16-32)33-26/h3-4,7,12,15,19-20H,2,5-6,8-11,13-14,17-18H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225179
PNG
(US9328118, 96)
Show SMILES CN(C)C(=O)CN1CCCC(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)C1
Show InChI InChI=1S/C25H27F3N6O2/c1-32(2)22(35)14-34-9-4-5-16(13-34)15-36-20-7-6-17(11-19(20)25(26,27)28)23-18-8-10-33(3)24(18)31-21(12-29)30-23/h6-8,10-11,16H,4-5,9,13-15H2,1-3H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225108
PNG
(US9328118, 5)
Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(nc2n(CC(=O)N3CCN(C)CC3)ccc12)C#N
Show InChI InChI=1S/C23H23F3N6O2/c1-3-34-18-5-4-15(12-17(18)23(24,25)26)21-16-6-7-32(22(16)29-19(13-27)28-21)14-20(33)31-10-8-30(2)9-11-31/h4-7,12H,3,8-11,14H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225191
PNG
(US9328118, 111)
Show SMILES CC(C)N1CCC(CCOc2ccc(cc2C#N)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C29H34N6O2/c1-20(2)34-10-5-21(6-11-34)9-14-37-26-4-3-23(15-24(26)16-30)28-25-7-12-35(18-22-8-13-36-19-22)29(25)33-27(17-31)32-28/h3-4,7,12,15,20-22H,5-6,8-11,13-14,18-19H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225166
PNG
(US9328118, 82)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCC2CNC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N5O/c1-27-5-4-13-17(25-16(7-23)26-18(13)27)12-2-3-15(14(6-12)19(20,21)22)28-10-11-8-24-9-11/h2-6,11,24H,8-10H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225137
PNG
(US9328118, 38)
Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2C3CCC2CNC3)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N5O/c1-32-8-6-18-22(30-21(11-28)31-23(18)32)14-4-5-20(19(10-14)24(25,26)27)33-9-7-17-15-2-3-16(17)13-29-12-15/h4-6,8,10,15-17,29H,2-3,7,9,12-13H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225118
PNG
(US9328118, 16)
Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCCO4)ccc23)C#N)CC1
Show InChI InChI=1S/C30H35F3N6O3/c1-37(2)27(40)19-38-11-7-20(8-12-38)10-15-42-25-6-5-21(16-24(25)30(31,32)33)28-23-9-13-39(18-22-4-3-14-41-22)29(23)36-26(17-34)35-28/h5-6,9,13,16,20,22H,3-4,7-8,10-12,14-15,18-19H2,1-2H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225129
PNG
(US9328118, 30)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C32H37F3N6O3/c1-39-11-2-3-26(39)31(42)40-12-6-21(7-13-40)10-16-44-27-5-4-23(17-25(27)32(33,34)35)29-24-8-14-41(19-22-9-15-43-20-22)30(24)38-28(18-36)37-29/h4-5,8,14,17,21-22,26H,2-3,6-7,9-13,15-16,19-20H2,1H3/t22?,26-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225140
PNG
(US9328118, 41)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)CC1
Show InChI InChI=1S/C27H30F3N7O2/c1-35-9-3-4-21(35)26(38)37-11-5-17(6-12-37)8-13-39-25-20(27(28,29)30)14-18(16-32-25)23-19-7-10-36(2)24(19)34-22(15-31)33-23/h7,10,14,16-17,21H,3-6,8-9,11-13H2,1-2H3/t21-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225132
PNG
(US9328118, 33)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC2)C(=O)CO)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N6O3/c1-31-13-28-21-20(29-18(11-27)30-22(21)31)15-2-3-17(16(10-15)23(24,25)26)35-9-6-14-4-7-32(8-5-14)19(34)12-33/h2-3,10,13-14,33H,4-9,12H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225110
PNG
(US9328118, 7)
Show SMILES CN(C)C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1
Show InChI InChI=1S/C24H26F3N7O2/c1-32(2)23(35)34-9-6-15(7-10-34)8-11-36-18-5-4-16(12-17(18)24(25,26)27)20-21-22(33(3)14-29-21)31-19(13-28)30-20/h4-5,12,14-15H,6-11H2,1-3H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225184
PNG
(US9328118, 104)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C#N)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C32H37N7O3/c1-37-11-2-3-27(37)32(40)38-12-6-22(7-13-38)10-16-42-28-5-4-24(17-25(28)18-33)30-26-8-14-39(20-23-9-15-41-21-23)31(26)36-29(19-34)35-30/h4-5,8,14,17,22-23,27H,2-3,6-7,9-13,15-16,20-21H2,1H3/t23?,27-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225192
PNG
(US9328118, 112)
Show SMILES FCC(CF)N1CCC(CCOc2ccc(cc2C#N)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1
Show InChI InChI=1S/C29H32F2N6O2/c30-14-24(15-31)36-8-3-20(4-9-36)7-12-39-26-2-1-22(13-23(26)16-32)28-25-5-10-37(18-21-6-11-38-19-21)29(25)35-27(17-33)34-28/h1-2,5,10,13,20-21,24H,3-4,6-9,11-12,14-15,18-19H2
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM225135
PNG
(US9328118, 36)
Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCC(=O)N2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N7O2/c1-29-11-26-18-17(27-15(9-24)28-19(18)29)12-2-3-14(13(8-12)20(21,22)23)32-10-16(31)30-6-4-25-5-7-30/h2-3,8,11,25H,4-7,10H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%