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Compile Data Set for Download or QSAR

Found 123 hits of Enz. Inhib. data with enzyme = 'Cathepsin S' and Substrate = 'BDBM225228'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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
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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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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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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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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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n/an/a 1.70n/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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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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n/an/a 1.70n/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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
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...


US Patent US9328118 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VBT
More data for this
Ligand-Target Pair
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