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USPatent US9409882

Compile data set for download or QSAR
Found 96 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


(Homo sapiens (Human))		BDBM240629
PNG
(US9409882, 34)
Show SMILES Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C30H26Cl2FN5O4S/c1-17-21(3-2-10-35-17)18-4-5-25(22(32)11-18)43(41,42)20-13-24(27(39)37-29(16-34)6-7-29)38(15-20)28(40)30(8-9-30)26-23(33)12-19(31)14-36-26/h2-5,10-12,14,20,24H,6-9,13,15H2,1H3,(H,37,39)/t20-,24+/m1/s1
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n/an/a 0.322n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240628
PNG
(US9409882, 33)
Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C28H25Cl2FN6O4S/c1-36-13-17(11-34-36)16-2-3-23(20(30)8-16)42(40,41)19-10-22(25(38)35-27(15-32)4-5-27)37(14-19)26(39)28(6-7-28)24-21(31)9-18(29)12-33-24/h2-3,8-9,11-13,19,22H,4-7,10,14H2,1H3,(H,35,38)/t19-,22+/m1/s1
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n/an/a 0.375n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240631
PNG
(US9409882, 36)
Show SMILES Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(I)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C30H26ClFIN5O4S/c1-17-21(3-2-10-35-17)18-4-5-25(22(31)11-18)43(41,42)20-13-24(27(39)37-29(16-34)6-7-29)38(15-20)28(40)30(8-9-30)26-23(32)12-19(33)14-36-26/h2-5,10-12,14,20,24H,6-9,13,15H2,1H3,(H,37,39)/t20-,24+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240599
PNG
(US9409882, 4)
Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H23Cl2FN4O5S/c1-37-15-2-3-20(17(27)9-15)38(35,36)16-10-19(22(33)31-24(13-29)4-5-24)32(12-16)23(34)25(6-7-25)21-18(28)8-14(26)11-30-21/h2-3,8-9,11,16,19H,4-7,10,12H2,1H3,(H,31,33)/t16-,19+/m1/s1
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n/an/a 0.393n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240600
PNG
(US9409882, 5)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C24H21Cl2FN4O4S/c25-14-9-17(27)20(29-11-14)24(7-8-24)22(33)31-12-15(36(34,35)19-4-2-1-3-16(19)26)10-18(31)21(32)30-23(13-28)5-6-23/h1-4,9,11,15,18H,5-8,10,12H2,(H,30,32)/t15-,18+/m1/s1
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n/an/a 0.398n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240603
PNG
(US9409882, 8)
Show SMILES Fc1cc(Br)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C24H21BrClFN4O4S/c25-14-9-17(27)20(29-11-14)24(7-8-24)22(33)31-12-15(36(34,35)19-4-2-1-3-16(19)26)10-18(31)21(32)30-23(13-28)5-6-23/h1-4,9,11,15,18H,5-8,10,12H2,(H,30,32)/t15-,18+/m1/s1
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n/an/a 0.438n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240625
PNG
(US9409882, 30)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(Br)cc1Cl |r|
Show InChI InChI=1S/C24H20BrCl2FN4O4S/c25-13-1-2-19(16(27)7-13)37(35,36)15-9-18(21(33)31-23(12-29)3-4-23)32(11-15)22(34)24(5-6-24)20-17(28)8-14(26)10-30-20/h1-2,7-8,10,15,18H,3-6,9,11H2,(H,31,33)/t15-,18+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240597
PNG
(US9409882, 2)
Show SMILES Clc1ccc(nc1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C24H22Cl2N4O4S/c25-15-5-6-20(28-12-15)24(9-10-24)22(32)30-13-16(35(33,34)19-4-2-1-3-17(19)26)11-18(30)21(31)29-23(14-27)7-8-23/h1-6,12,16,18H,7-11,13H2,(H,29,31)/t16-,18+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240626
PNG
(US9409882, 31)
Show SMILES Cc1cc(ccn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C30H26Cl2FN5O4S/c1-17-10-19(4-9-35-17)18-2-3-25(22(32)11-18)43(41,42)21-13-24(27(39)37-29(16-34)5-6-29)38(15-21)28(40)30(7-8-30)26-23(33)12-20(31)14-36-26/h2-4,9-12,14,21,24H,5-8,13,15H2,1H3,(H,37,39)/t21-,24+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240623
PNG
(US9409882, 28)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C25H20Cl2F4N4O4S/c26-14-8-17(28)20(33-10-14)24(5-6-24)22(37)35-11-15(9-18(35)21(36)34-23(12-32)3-4-23)40(38,39)19-7-13(25(29,30)31)1-2-16(19)27/h1-2,7-8,10,15,18H,3-6,9,11H2,(H,34,36)/t15-,18+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240636
PNG
(US9409882, 41)
Show SMILES Fc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(I)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H21F2IN4O4S/c25-16-3-1-2-4-19(16)36(34,35)15-10-18(21(32)30-23(13-28)5-6-23)31(12-15)22(33)24(7-8-24)20-17(26)9-14(27)11-29-20/h1-4,9,11,15,18H,5-8,10,12H2,(H,30,32)/t15-,18+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240606
PNG
(US9409882, 11)
Show SMILES Fc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H21Cl2F2N3O4S/c26-14-1-3-17(19(29)9-14)25(7-8-25)23(34)32-12-16(11-20(32)22(33)31-24(13-30)5-6-24)37(35,36)21-4-2-15(28)10-18(21)27/h1-4,9-10,16,20H,5-8,11-12H2,(H,31,33)/t16-,20+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240596
PNG
(US9409882, 1)
Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H24Cl2N4O5S/c1-36-16-3-4-20(18(27)10-16)37(34,35)17-11-19(22(32)30-24(14-28)6-7-24)31(13-17)23(33)25(8-9-25)21-5-2-15(26)12-29-21/h2-5,10,12,17,19H,6-9,11,13H2,1H3,(H,30,32)/t17-,19+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240624
PNG
(US9409882, 29)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H21Cl2F3N4O4S/c26-15-2-4-20(32-11-15)24(7-8-24)22(36)34-12-16(10-18(34)21(35)33-23(13-31)5-6-23)39(37,38)19-9-14(25(28,29)30)1-3-17(19)27/h1-4,9,11,16,18H,5-8,10,12H2,(H,33,35)/t16-,18+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240601
PNG
(US9409882, 6)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl |r|
Show InChI InChI=1S/C26H22Cl2F4N4O5S/c27-14-7-18(29)21(34-10-14)25(5-6-25)23(38)36-11-16(9-19(36)22(37)35-24(12-33)3-4-24)42(39,40)20-2-1-15(8-17(20)28)41-13-26(30,31)32/h1-2,7-8,10,16,19H,3-6,9,11,13H2,(H,35,37)/t16-,19+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240633
PNG
(US9409882, 38)
Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(I)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C28H25ClFIN6O4S/c1-36-13-17(11-34-36)16-2-3-23(20(29)8-16)42(40,41)19-10-22(25(38)35-27(15-32)4-5-27)37(14-19)26(39)28(6-7-28)24-21(30)9-18(31)12-33-24/h2-3,8-9,11-13,19,22H,4-7,10,14H2,1H3,(H,35,38)/t19-,22+/m1/s1
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n/an/a 0.678n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240627
PNG
(US9409882, 32)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-c1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C29H23Cl3FN5O4S/c30-18-11-21(33)25(36-13-18)29(6-7-29)27(40)38-14-19(12-22(38)26(39)37-28(15-34)4-5-28)43(41,42)23-2-1-16(9-20(23)31)17-3-8-35-24(32)10-17/h1-3,8-11,13,19,22H,4-7,12,14H2,(H,37,39)/t19-,22+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240634
PNG
(US9409882, 39)
Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(cc1F)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C29H25ClF4N6O4S/c1-39-13-17(11-37-39)16-2-3-23(20(30)8-16)45(43,44)19-10-22(25(41)38-27(15-35)4-5-27)40(14-19)26(42)28(6-7-28)24-21(31)9-18(12-36-24)29(32,33)34/h2-3,8-9,11-13,19,22H,4-7,10,14H2,1H3,(H,38,41)/t19-,22+/m1/s1
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n/an/a 0.696n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240637
PNG
(US9409882, 42)
Show SMILES Fc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H21ClF2N4O4S/c25-14-9-17(27)20(29-11-14)24(7-8-24)22(33)31-12-15(36(34,35)19-4-2-1-3-16(19)26)10-18(31)21(32)30-23(13-28)5-6-23/h1-4,9,11,15,18H,5-8,10,12H2,(H,30,32)/t15-,18+/m1/s1
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n/an/a 0.700n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240635
PNG
(US9409882, 40)
Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1Cl)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C28H25Cl3N6O4S/c1-36-13-17(11-34-36)16-2-3-23(20(30)8-16)42(40,41)19-10-22(25(38)35-27(15-32)4-5-27)37(14-19)26(39)28(6-7-28)24-21(31)9-18(29)12-33-24/h2-3,8-9,11-13,19,22H,4-7,10,14H2,1H3,(H,35,38)/t19-,22+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240602
PNG
(US9409882, 7)
Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H23BrClFN4O5S/c1-37-15-2-3-20(17(27)9-15)38(35,36)16-10-19(22(33)31-24(13-29)4-5-24)32(12-16)23(34)25(6-7-25)21-18(28)8-14(26)11-30-21/h2-3,8-9,11,16,19H,4-7,10,12H2,1H3,(H,31,33)/t16-,19+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240630
PNG
(US9409882, 35)
Show SMILES Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(cc1F)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C31H26ClF4N5O4S/c1-17-21(3-2-10-38-17)18-4-5-25(22(32)11-18)46(44,45)20-13-24(27(42)40-29(16-37)6-7-29)41(15-20)28(43)30(8-9-30)26-23(33)12-19(14-39-26)31(34,35)36/h2-5,10-12,14,20,24H,6-9,13,15H2,1H3,(H,40,42)/t20-,24+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240608
PNG
(US9409882, 13)
Show SMILES Fc1ccc(cc1)-c1cccc(c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C30H25ClF2N4O4S/c31-20-13-24(33)26(35-15-20)30(10-11-30)28(39)37-16-23(14-25(37)27(38)36-29(17-34)8-9-29)42(40,41)22-3-1-2-19(12-22)18-4-6-21(32)7-5-18/h1-7,12-13,15,23,25H,8-11,14,16H2,(H,36,38)/t23-,25+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240632
PNG
(US9409882, 37)
Show SMILES Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1Cl)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C30H26Cl3N5O4S/c1-17-21(3-2-10-35-17)18-4-5-25(22(32)11-18)43(41,42)20-13-24(27(39)37-29(16-34)6-7-29)38(15-20)28(40)30(8-9-30)26-23(33)12-19(31)14-36-26/h2-5,10-12,14,20,24H,6-9,13,15H2,1H3,(H,37,39)/t20-,24+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240598
PNG
(US9409882, 3)
Show SMILES FC(F)(F)COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C26H23Cl2F3N4O5S/c27-15-1-4-21(33-11-15)25(7-8-25)23(37)35-12-17(10-19(35)22(36)34-24(13-32)5-6-24)41(38,39)20-3-2-16(9-18(20)28)40-14-26(29,30)31/h1-4,9,11,17,19H,5-8,10,12,14H2,(H,34,36)/t17-,19+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240622
PNG
(US9409882, 27)
Show SMILES C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1CC(N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C27H24Cl2F4N4O5S/c1-14(27(31,32)33)42-16-2-3-21(18(29)9-16)43(40,41)17-10-20(23(38)36-25(13-34)4-5-25)37(12-17)24(39)26(6-7-26)22-19(30)8-15(28)11-35-22/h2-3,8-9,11,14,17,20H,4-7,10,12H2,1H3,(H,36,38)/t14-,17+,20?/m0/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240639
PNG
(US9409882, 44)
Show SMILES Fc1cc(I)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1ccnn1 |r|
Show InChI InChI=1S/C26H23FIN7O4S/c27-18-11-16(28)13-30-22(18)26(7-8-26)24(37)34-14-17(12-20(34)23(36)32-25(15-29)5-6-25)40(38,39)21-4-2-1-3-19(21)35-10-9-31-33-35/h1-4,9-11,13,17,20H,5-8,12,14H2,(H,32,36)/t17-,20+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240618
PNG
(US9409882, 23)
Show SMILES Cc1cccc(n1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H23ClFN5O4S/c1-14-3-2-4-19(29-14)36(34,35)16-10-18(21(32)30-23(13-27)5-6-23)31(12-16)22(33)24(7-8-24)20-17(26)9-15(25)11-28-20/h2-4,9,11,16,18H,5-8,10,12H2,1H3,(H,30,32)/t16-,18+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240609
PNG
(US9409882, 14)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ncccc1Cl |r|
Show InChI InChI=1S/C23H20Cl2FN5O4S/c24-13-8-16(26)18(29-10-13)23(5-6-23)21(33)31-11-14(36(34,35)20-15(25)2-1-7-28-20)9-17(31)19(32)30-22(12-27)3-4-22/h1-2,7-8,10,14,17H,3-6,9,11H2,(H,30,32)/t14-,17+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240617
PNG
(US9409882, 22)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C23H20Cl2FN5O4S/c24-13-1-2-18(28-9-13)36(34,35)15-8-17(20(32)30-22(12-27)3-4-22)31(11-15)21(33)23(5-6-23)19-16(26)7-14(25)10-29-19/h1-2,7,9-10,15,17H,3-6,8,11H2,(H,30,32)/t15-,17+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240636
PNG
(US9409882, 41)
Show SMILES Fc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(I)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H21F2IN4O4S/c25-16-3-1-2-4-19(16)36(34,35)15-10-18(21(32)30-23(13-28)5-6-23)31(12-15)22(33)24(7-8-24)20-17(26)9-14(27)11-29-20/h1-4,9,11,15,18H,5-8,10,12H2,(H,30,32)/t15-,18+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240633
PNG
(US9409882, 38)
Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(I)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C28H25ClFIN6O4S/c1-36-13-17(11-34-36)16-2-3-23(20(29)8-16)42(40,41)19-10-22(25(38)35-27(15-32)4-5-27)37(14-19)26(39)28(6-7-28)24-21(30)9-18(31)12-33-24/h2-3,8-9,11-13,19,22H,4-7,10,14H2,1H3,(H,35,38)/t19-,22+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240620
PNG
(US9409882, 25)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ncccc1C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF4N5O4S/c25-13-8-16(26)18(32-10-13)23(5-6-23)21(36)34-11-14(9-17(34)19(35)33-22(12-30)3-4-22)39(37,38)20-15(24(27,28)29)2-1-7-31-20/h1-2,7-8,10,14,17H,3-6,9,11H2,(H,33,35)/t14-,17+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240621
PNG
(US9409882, 26)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1cc(ccc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C25H20Cl2F4N4O2S/c26-14-8-17(28)20(33-10-14)24(5-6-24)22(37)35-11-15(9-18(35)21(36)34-23(12-32)3-4-23)38-19-7-13(25(29,30)31)1-2-16(19)27/h1-2,7-8,10,15,18H,3-6,9,11H2,(H,34,36)/t15-,18+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240613
PNG
(US9409882, 18)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C23H21ClFN5O4S/c24-14-9-16(25)19(28-11-14)23(6-7-23)21(32)30-12-15(35(33,34)18-3-1-2-8-27-18)10-17(30)20(31)29-22(13-26)4-5-22/h1-3,8-9,11,15,17H,4-7,10,12H2,(H,29,31)/t15-,17+/m1/s1
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n/an/a 4.24n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240642
PNG
(US9409882, 47)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1ccnn1 |r|
Show InChI InChI=1S/C26H23ClFN7O4S/c27-16-11-18(28)22(30-13-16)26(7-8-26)24(37)34-14-17(12-20(34)23(36)32-25(15-29)5-6-25)40(38,39)21-4-2-1-3-19(21)35-10-9-31-33-35/h1-4,9-11,13,17,20H,5-8,12,14H2,(H,32,36)/t17-,20+/m1/s1
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n/an/a 4.27n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240619
PNG
(US9409882, 24)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF4N5O4S/c25-14-7-16(26)19(32-10-14)23(5-6-23)21(36)34-11-15(8-17(34)20(35)33-22(12-30)3-4-22)39(37,38)18-2-1-13(9-31-18)24(27,28)29/h1-2,7,9-10,15,17H,3-6,8,11H2,(H,33,35)/t15-,17+/m1/s1
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n/an/a 6.24n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240631
PNG
(US9409882, 36)
Show SMILES Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(I)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C30H26ClFIN5O4S/c1-17-21(3-2-10-35-17)18-4-5-25(22(31)11-18)43(41,42)20-13-24(27(39)37-29(16-34)6-7-29)38(15-20)28(40)30(8-9-30)26-23(32)12-19(33)14-36-26/h2-5,10-12,14,20,24H,6-9,13,15H2,1H3,(H,37,39)/t20-,24+/m1/s1
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n/an/a 9.80n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240610
PNG
(US9409882, 15)
Show SMILES Fc1ccc(c(Cl)c1)S(=O)(=O)C1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H20Cl2F2N4O4S/c25-13-7-17(28)20(30-10-13)24(5-6-24)22(34)32-11-15(9-18(32)21(33)31-23(12-29)3-4-23)37(35,36)19-2-1-14(27)8-16(19)26/h1-2,7-8,10,15,18H,3-6,9,11H2,(H,31,33)/t15?,18-/m0/s1
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n/an/a 11.1n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240604
PNG
(US9409882, 9)
Show SMILES Fc1ccc(cc1)-c1cccc(S[C@@H]2C[C@H](N(C2)C(=O)C2(CC2)c2ncc(Cl)cc2F)C(=O)NC2(CC2)C#N)c1 |r|
Show InChI InChI=1S/C30H25ClF2N4O2S/c31-20-13-24(33)26(35-15-20)30(10-11-30)28(39)37-16-23(14-25(37)27(38)36-29(17-34)8-9-29)40-22-3-1-2-19(12-22)18-4-6-21(32)7-5-18/h1-7,12-13,15,23,25H,8-11,14,16H2,(H,36,38)/t23-,25+/m1/s1
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n/an/a 11.8n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240599
PNG
(US9409882, 4)
Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H23Cl2FN4O5S/c1-37-15-2-3-20(17(27)9-15)38(35,36)16-10-19(22(33)31-24(13-29)4-5-24)32(12-16)23(34)25(6-7-25)21-18(28)8-14(26)11-30-21/h2-3,8-9,11,16,19H,4-7,10,12H2,1H3,(H,31,33)/t16-,19+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240600
PNG
(US9409882, 5)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C24H21Cl2FN4O4S/c25-14-9-17(27)20(29-11-14)24(7-8-24)22(33)31-12-15(36(34,35)19-4-2-1-3-16(19)26)10-18(31)21(32)30-23(13-28)5-6-23/h1-4,9,11,15,18H,5-8,10,12H2,(H,30,32)/t15-,18+/m1/s1
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n/an/a 12.9n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240638
PNG
(US9409882, 43)
Show SMILES Fc1cc(I)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cccn1 |r|
Show InChI InChI=1S/C27H24FIN6O4S/c28-19-12-17(29)14-31-23(19)27(8-9-27)25(37)34-15-18(13-21(34)24(36)33-26(16-30)6-7-26)40(38,39)22-5-2-1-4-20(22)35-11-3-10-32-35/h1-5,10-12,14,18,21H,6-9,13,15H2,(H,33,36)/t18-,21+/m1/s1
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n/an/a 17.0n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240603
PNG
(US9409882, 8)
Show SMILES Fc1cc(Br)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C24H21BrClFN4O4S/c25-14-9-17(27)20(29-11-14)24(7-8-24)22(33)31-12-15(36(34,35)19-4-2-1-3-16(19)26)10-18(31)21(32)30-23(13-28)5-6-23/h1-4,9,11,15,18H,5-8,10,12H2,(H,30,32)/t15-,18+/m1/s1
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n/an/a 19.2n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240602
PNG
(US9409882, 7)
Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H23BrClFN4O5S/c1-37-15-2-3-20(17(27)9-15)38(35,36)16-10-19(22(33)31-24(13-29)4-5-24)32(12-16)23(34)25(6-7-25)21-18(28)8-14(26)11-30-21/h2-3,8-9,11,16,19H,4-7,10,12H2,1H3,(H,31,33)/t16-,19+/m1/s1
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n/an/a 25.5n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240628
PNG
(US9409882, 33)
Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C28H25Cl2FN6O4S/c1-36-13-17(11-34-36)16-2-3-23(20(30)8-16)42(40,41)19-10-22(25(38)35-27(15-32)4-5-27)37(14-19)26(39)28(6-7-28)24-21(31)9-18(29)12-33-24/h2-3,8-9,11-13,19,22H,4-7,10,14H2,1H3,(H,35,38)/t19-,22+/m1/s1
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n/an/a 28.7n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240637
PNG
(US9409882, 42)
Show SMILES Fc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H21ClF2N4O4S/c25-14-9-17(27)20(29-11-14)24(7-8-24)22(33)31-12-15(36(34,35)19-4-2-1-3-16(19)26)10-18(31)21(32)30-23(13-28)5-6-23/h1-4,9,11,15,18H,5-8,10,12H2,(H,30,32)/t15-,18+/m1/s1
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n/an/a 31n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240634
PNG
(US9409882, 39)
Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(cc1F)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C29H25ClF4N6O4S/c1-39-13-17(11-37-39)16-2-3-23(20(30)8-16)45(43,44)19-10-22(25(41)38-27(15-35)4-5-27)40(14-19)26(42)28(6-7-28)24-21(31)9-18(12-36-24)29(32,33)34/h2-3,8-9,11-13,19,22H,4-7,10,14H2,1H3,(H,38,41)/t19-,22+/m1/s1
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n/an/a 43.6n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240601
PNG
(US9409882, 6)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl |r|
Show InChI InChI=1S/C26H22Cl2F4N4O5S/c27-14-7-18(29)21(34-10-14)25(5-6-25)23(38)36-11-16(9-19(36)22(37)35-24(12-33)3-4-24)42(39,40)20-2-1-15(8-17(20)28)41-13-26(30,31)32/h1-2,7-8,10,16,19H,3-6,9,11,13H2,(H,35,37)/t16-,19+/m1/s1
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n/an/a 44.5n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240621
PNG
(US9409882, 26)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1cc(ccc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C25H20Cl2F4N4O2S/c26-14-8-17(28)20(33-10-14)24(5-6-24)22(37)35-11-15(9-18(35)21(36)34-23(12-32)3-4-23)38-19-7-13(25(29,30)31)1-2-16(19)27/h1-2,7-8,10,15,18H,3-6,9,11H2,(H,34,36)/t15-,18+/m1/s1
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n/an/a 52.4n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240623
PNG
(US9409882, 28)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C25H20Cl2F4N4O4S/c26-14-8-17(28)20(33-10-14)24(5-6-24)22(37)35-11-15(9-18(35)21(36)34-23(12-32)3-4-23)40(38,39)19-7-13(25(29,30)31)1-2-16(19)27/h1-2,7-8,10,15,18H,3-6,9,11H2,(H,34,36)/t15-,18+/m1/s1
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n/an/a 56.8n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240643
PNG
(US9409882, 48)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cncn1 |r|
Show InChI InChI=1S/C26H23ClFN7O4S/c27-16-9-18(28)22(31-11-16)26(7-8-26)24(37)34-12-17(10-20(34)23(36)33-25(13-29)5-6-25)40(38,39)21-4-2-1-3-19(21)35-15-30-14-32-35/h1-4,9,11,14-15,17,20H,5-8,10,12H2,(H,33,36)/t17-,20+/m1/s1
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n/an/a 58.5n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240630
PNG
(US9409882, 35)
Show SMILES Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(cc1F)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C31H26ClF4N5O4S/c1-17-21(3-2-10-38-17)18-4-5-25(22(32)11-18)46(44,45)20-13-24(27(42)40-29(16-37)6-7-29)41(15-20)28(43)30(8-9-30)26-23(33)12-19(14-39-26)31(34,35)36/h2-5,10-12,14,20,24H,6-9,13,15H2,1H3,(H,40,42)/t20-,24+/m1/s1
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n/an/a 58.9n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240626
PNG
(US9409882, 31)
Show SMILES Cc1cc(ccn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C30H26Cl2FN5O4S/c1-17-10-19(4-9-35-17)18-2-3-25(22(32)11-18)43(41,42)21-13-24(27(39)37-29(16-34)5-6-29)38(15-21)28(40)30(7-8-30)26-23(33)12-20(31)14-36-26/h2-4,9-12,14,21,24H,5-8,13,15H2,1H3,(H,37,39)/t21-,24+/m1/s1
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n/an/a 61.6n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240629
PNG
(US9409882, 34)
Show SMILES Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C30H26Cl2FN5O4S/c1-17-21(3-2-10-35-17)18-4-5-25(22(32)11-18)43(41,42)20-13-24(27(39)37-29(16-34)6-7-29)38(15-20)28(40)30(8-9-30)26-23(33)12-19(31)14-36-26/h2-5,10-12,14,20,24H,6-9,13,15H2,1H3,(H,37,39)/t20-,24+/m1/s1
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n/an/a 64.2n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240632
PNG
(US9409882, 37)
Show SMILES Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1Cl)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C30H26Cl3N5O4S/c1-17-21(3-2-10-35-17)18-4-5-25(22(32)11-18)43(41,42)20-13-24(27(39)37-29(16-34)6-7-29)38(15-20)28(40)30(8-9-30)26-23(33)12-19(31)14-36-26/h2-5,10-12,14,20,24H,6-9,13,15H2,1H3,(H,37,39)/t20-,24+/m1/s1
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n/an/a 72.2n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240625
PNG
(US9409882, 30)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(Br)cc1Cl |r|
Show InChI InChI=1S/C24H20BrCl2FN4O4S/c25-13-1-2-19(16(27)7-13)37(35,36)15-9-18(21(33)31-23(12-29)3-4-23)32(11-15)22(34)24(5-6-24)20-17(28)8-14(26)10-30-20/h1-2,7-8,10,15,18H,3-6,9,11H2,(H,31,33)/t15-,18+/m1/s1
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n/an/a 72.6n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240606
PNG
(US9409882, 11)
Show SMILES Fc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H21Cl2F2N3O4S/c26-14-1-3-17(19(29)9-14)25(7-8-25)23(34)32-12-16(11-20(32)22(33)31-24(13-30)5-6-24)37(35,36)21-4-2-15(28)10-18(21)27/h1-4,9-10,16,20H,5-8,11-12H2,(H,31,33)/t16-,20+/m1/s1
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n/an/a 89.8n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240622
PNG
(US9409882, 27)
Show SMILES C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1CC(N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C27H24Cl2F4N4O5S/c1-14(27(31,32)33)42-16-2-3-21(18(29)9-16)43(40,41)17-10-20(23(38)36-25(13-34)4-5-25)37(12-17)24(39)26(6-7-26)22-19(30)8-15(28)11-35-22/h2-3,8-9,11,14,17,20H,4-7,10,12H2,1H3,(H,36,38)/t14-,17+,20?/m0/s1
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n/an/a 90n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240638
PNG
(US9409882, 43)
Show SMILES Fc1cc(I)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cccn1 |r|
Show InChI InChI=1S/C27H24FIN6O4S/c28-19-12-17(29)14-31-23(19)27(8-9-27)25(37)34-15-18(13-21(34)24(36)33-26(16-30)6-7-26)40(38,39)22-5-2-1-4-20(22)35-11-3-10-32-35/h1-5,10-12,14,18,21H,6-9,13,15H2,(H,33,36)/t18-,21+/m1/s1
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n/an/a 90.6n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240635
PNG
(US9409882, 40)
Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1Cl)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C28H25Cl3N6O4S/c1-36-13-17(11-34-36)16-2-3-23(20(30)8-16)42(40,41)19-10-22(25(38)35-27(15-32)4-5-27)37(14-19)26(39)28(6-7-28)24-21(31)9-18(29)12-33-24/h2-3,8-9,11-13,19,22H,4-7,10,14H2,1H3,(H,35,38)/t19-,22+/m1/s1
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n/an/a 111n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240627
PNG
(US9409882, 32)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-c1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C29H23Cl3FN5O4S/c30-18-11-21(33)25(36-13-18)29(6-7-29)27(40)38-14-19(12-22(38)26(39)37-28(15-34)4-5-28)43(41,42)23-2-1-16(9-20(23)31)17-3-8-35-24(32)10-17/h1-3,8-11,13,19,22H,4-7,12,14H2,(H,37,39)/t19-,22+/m1/s1
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n/an/a 112n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240614
PNG
(US9409882, 19)
Show SMILES Cc1cccc(S[C@@H]2C[C@H](N(C2)C(=O)C2(CC2)c2ncc(Cl)cc2F)C(=O)NC2(CC2)C#N)n1 |r|
Show InChI InChI=1S/C24H23ClFN5O2S/c1-14-3-2-4-19(29-14)34-16-10-18(21(32)30-23(13-27)5-6-23)31(12-16)22(33)24(7-8-24)20-17(26)9-15(25)11-28-20/h2-4,9,11,16,18H,5-8,10,12H2,1H3,(H,30,32)/t16-,18+/m1/s1
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n/an/a 127n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240641
PNG
(US9409882, 46)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cccn1 |r|
Show InChI InChI=1S/C27H24ClFN6O4S/c28-17-12-19(29)23(31-14-17)27(8-9-27)25(37)34-15-18(13-21(34)24(36)33-26(16-30)6-7-26)40(38,39)22-5-2-1-4-20(22)35-11-3-10-32-35/h1-5,10-12,14,18,21H,6-9,13,15H2,(H,33,36)/t18-,21+/m1/s1
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n/an/a 159n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240608
PNG
(US9409882, 13)
Show SMILES Fc1ccc(cc1)-c1cccc(c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C30H25ClF2N4O4S/c31-20-13-24(33)26(35-15-20)30(10-11-30)28(39)37-16-23(14-25(37)27(38)36-29(17-34)8-9-29)42(40,41)22-3-1-2-19(12-22)18-4-6-21(32)7-5-18/h1-7,12-13,15,23,25H,8-11,14,16H2,(H,36,38)/t23-,25+/m1/s1
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n/an/a 247n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240612
PNG
(US9409882, 17)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C23H20Cl2FN5O2S/c24-13-1-2-18(28-9-13)34-15-8-17(20(32)30-22(12-27)3-4-22)31(11-15)21(33)23(5-6-23)19-16(26)7-14(25)10-29-19/h1-2,7,9-10,15,17H,3-6,8,11H2,(H,30,32)/t15-,17+/m1/s1
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n/an/a 264n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240616
PNG
(US9409882, 21)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ncccc1C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF4N5O2S/c25-13-8-16(26)18(32-10-13)23(5-6-23)21(36)34-11-14(9-17(34)19(35)33-22(12-30)3-4-22)37-20-15(24(27,28)29)2-1-7-31-20/h1-2,7-8,10,14,17H,3-6,9,11H2,(H,33,35)/t14-,17+/m1/s1
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n/an/a 275n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240640
PNG
(US9409882, 45)
Show SMILES Fc1cc(I)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cncn1 |r|
Show InChI InChI=1S/C26H23FIN7O4S/c27-18-9-16(28)11-31-22(18)26(7-8-26)24(37)34-12-17(10-20(34)23(36)33-25(13-29)5-6-25)40(38,39)21-4-2-1-3-19(21)35-15-30-14-32-35/h1-4,9,11,14-15,17,20H,5-8,10,12H2,(H,33,36)/t17-,20+/m1/s1
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n/an/a 327n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240597
PNG
(US9409882, 2)
Show SMILES Clc1ccc(nc1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C24H22Cl2N4O4S/c25-15-5-6-20(28-12-15)24(9-10-24)22(32)30-13-16(35(33,34)19-4-2-1-3-17(19)26)11-18(30)21(31)29-23(14-27)7-8-23/h1-6,12,16,18H,7-11,13H2,(H,29,31)/t16-,18+/m1/s1
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n/an/a 340n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240624
PNG
(US9409882, 29)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H21Cl2F3N4O4S/c26-15-2-4-20(32-11-15)24(7-8-24)22(36)34-12-16(10-18(34)21(35)33-23(13-31)5-6-23)39(37,38)19-9-14(25(28,29)30)1-3-17(19)27/h1-4,9,11,16,18H,5-8,10,12H2,(H,33,35)/t16-,18+/m1/s1
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n/an/a 362n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240615
PNG
(US9409882, 20)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF4N5O2S/c25-14-7-16(26)19(32-10-14)23(5-6-23)21(36)34-11-15(8-17(34)20(35)33-22(12-30)3-4-22)37-18-2-1-13(9-31-18)24(27,28)29/h1-2,7,9-10,15,17H,3-6,8,11H2,(H,33,35)/t15-,17+/m1/s1
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n/an/a 393n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240596
PNG
(US9409882, 1)
Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H24Cl2N4O5S/c1-36-16-3-4-20(18(27)10-16)37(34,35)17-11-19(22(32)30-24(14-28)6-7-24)31(13-17)23(33)25(8-9-25)21-5-2-15(26)12-29-21/h2-5,10,12,17,19H,6-9,11,13H2,1H3,(H,30,32)/t17-,19+/m1/s1
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n/an/a 410n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240604
PNG
(US9409882, 9)
Show SMILES Fc1ccc(cc1)-c1cccc(S[C@@H]2C[C@H](N(C2)C(=O)C2(CC2)c2ncc(Cl)cc2F)C(=O)NC2(CC2)C#N)c1 |r|
Show InChI InChI=1S/C30H25ClF2N4O2S/c31-20-13-24(33)26(35-15-20)30(10-11-30)28(39)37-16-23(14-25(37)27(38)36-29(17-34)8-9-29)40-22-3-1-2-19(12-22)18-4-6-21(32)7-5-18/h1-7,12-13,15,23,25H,8-11,14,16H2,(H,36,38)/t23-,25+/m1/s1
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n/an/a 417n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240598
PNG
(US9409882, 3)
Show SMILES FC(F)(F)COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C26H23Cl2F3N4O5S/c27-15-1-4-21(33-11-15)25(7-8-25)23(37)35-12-17(10-19(35)22(36)34-24(13-32)5-6-24)41(38,39)20-3-2-16(9-18(20)28)40-14-26(29,30)31/h1-4,9,11,17,19H,5-8,10,12,14H2,(H,34,36)/t17-,19+/m1/s1
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n/an/a 429n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240607
PNG
(US9409882, 12)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ccccn1 |r|
Show InChI InChI=1S/C23H21ClFN5O2S/c24-14-9-16(25)19(28-11-14)23(6-7-23)21(32)30-12-15(33-18-3-1-2-8-27-18)10-17(30)20(31)29-22(13-26)4-5-22/h1-3,8-9,11,15,17H,4-7,10,12H2,(H,29,31)/t15-,17+/m1/s1
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n/an/a 594n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240605
PNG
(US9409882, 10)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ncccc1Cl |r|
Show InChI InChI=1S/C23H20Cl2FN5O2S/c24-13-8-16(26)18(29-10-13)23(5-6-23)21(33)31-11-14(34-20-15(25)2-1-7-28-20)9-17(31)19(32)30-22(12-27)3-4-22/h1-2,7-8,10,14,17H,3-6,9,11H2,(H,30,32)/t14-,17+/m1/s1
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n/an/a 964n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM240611
PNG
(US9409882, 16)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ncc(cc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C24H19Cl2F4N5O2S/c25-13-6-16(27)18(32-9-13)23(3-4-23)21(37)35-10-14(7-17(35)19(36)34-22(11-31)1-2-22)38-20-15(26)5-12(8-33-20)24(28,29)30/h5-6,8-9,14,17H,1-4,7,10H2,(H,34,36)/t14-,17+/m1/s1
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n/an/a 1.03E+3n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240639
PNG
(US9409882, 44)
Show SMILES Fc1cc(I)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1ccnn1 |r|
Show InChI InChI=1S/C26H23FIN7O4S/c27-18-11-16(28)13-30-22(18)26(7-8-26)24(37)34-14-17(12-20(34)23(36)32-25(15-29)5-6-25)40(38,39)21-4-2-1-3-19(21)35-10-9-31-33-35/h1-4,9-11,13,17,20H,5-8,12,14H2,(H,32,36)/t17-,20+/m1/s1
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n/an/a 1.56E+3n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240610
PNG
(US9409882, 15)
Show SMILES Fc1ccc(c(Cl)c1)S(=O)(=O)C1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H20Cl2F2N4O4S/c25-13-7-17(28)20(30-10-13)24(5-6-24)22(34)32-11-15(9-18(32)21(33)31-23(12-29)3-4-23)37(35,36)19-2-1-14(27)8-16(19)26/h1-2,7-8,10,15,18H,3-6,9,11H2,(H,31,33)/t15?,18-/m0/s1
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n/an/a 1.68E+3n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240617
PNG
(US9409882, 22)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C23H20Cl2FN5O4S/c24-13-1-2-18(28-9-13)36(34,35)15-8-17(20(32)30-22(12-27)3-4-22)31(11-15)21(33)23(5-6-23)19-16(26)7-14(25)10-29-19/h1-2,7,9-10,15,17H,3-6,8,11H2,(H,30,32)/t15-,17+/m1/s1
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n/an/a 1.97E+3n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240609
PNG
(US9409882, 14)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ncccc1Cl |r|
Show InChI InChI=1S/C23H20Cl2FN5O4S/c24-13-8-16(26)18(29-10-13)23(5-6-23)21(33)31-11-14(36(34,35)20-15(25)2-1-7-28-20)9-17(31)19(32)30-22(12-27)3-4-22/h1-2,7-8,10,14,17H,3-6,9,11H2,(H,30,32)/t14-,17+/m1/s1
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n/an/a 2.12E+3n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240619
PNG
(US9409882, 24)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF4N5O4S/c25-14-7-16(26)19(32-10-14)23(5-6-23)21(36)34-11-15(8-17(34)20(35)33-22(12-30)3-4-22)39(37,38)18-2-1-13(9-31-18)24(27,28)29/h1-2,7,9-10,15,17H,3-6,8,11H2,(H,33,35)/t15-,17+/m1/s1
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n/an/a 2.69E+3n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240613
PNG
(US9409882, 18)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C23H21ClFN5O4S/c24-14-9-16(25)19(28-11-14)23(6-7-23)21(32)30-12-15(35(33,34)18-3-1-2-8-27-18)10-17(30)20(31)29-22(13-26)4-5-22/h1-3,8-9,11,15,17H,4-7,10,12H2,(H,29,31)/t15-,17+/m1/s1
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n/an/a 3.43E+3n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240614
PNG
(US9409882, 19)
Show SMILES Cc1cccc(S[C@@H]2C[C@H](N(C2)C(=O)C2(CC2)c2ncc(Cl)cc2F)C(=O)NC2(CC2)C#N)n1 |r|
Show InChI InChI=1S/C24H23ClFN5O2S/c1-14-3-2-4-19(29-14)34-16-10-18(21(32)30-23(13-27)5-6-23)31(12-16)22(33)24(7-8-24)20-17(26)9-15(25)11-28-20/h2-4,9,11,16,18H,5-8,10,12H2,1H3,(H,30,32)/t16-,18+/m1/s1
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n/an/a 4.61E+3n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240615
PNG
(US9409882, 20)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF4N5O2S/c25-14-7-16(26)19(32-10-14)23(5-6-23)21(36)34-11-15(8-17(34)20(35)33-22(12-30)3-4-22)37-18-2-1-13(9-31-18)24(27,28)29/h1-2,7,9-10,15,17H,3-6,8,11H2,(H,33,35)/t15-,17+/m1/s1
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n/an/a 5.06E+3n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240618
PNG
(US9409882, 23)
Show SMILES Cc1cccc(n1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H23ClFN5O4S/c1-14-3-2-4-19(29-14)36(34,35)16-10-18(21(32)30-23(13-27)5-6-23)31(12-16)22(33)24(7-8-24)20-17(26)9-15(25)11-28-20/h2-4,9,11,16,18H,5-8,10,12H2,1H3,(H,30,32)/t16-,18+/m1/s1
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n/an/a 5.64E+3n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240612
PNG
(US9409882, 17)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C23H20Cl2FN5O2S/c24-13-1-2-18(28-9-13)34-15-8-17(20(32)30-22(12-27)3-4-22)31(11-15)21(33)23(5-6-23)19-16(26)7-14(25)10-29-19/h1-2,7,9-10,15,17H,3-6,8,11H2,(H,30,32)/t15-,17+/m1/s1
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n/an/a 5.65E+3n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240607
PNG
(US9409882, 12)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ccccn1 |r|
Show InChI InChI=1S/C23H21ClFN5O2S/c24-14-9-16(25)19(28-11-14)23(6-7-23)21(32)30-12-15(33-18-3-1-2-8-27-18)10-17(30)20(31)29-22(13-26)4-5-22/h1-3,8-9,11,15,17H,4-7,10,12H2,(H,29,31)/t15-,17+/m1/s1
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n/an/a 8.23E+3n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240616
PNG
(US9409882, 21)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ncccc1C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF4N5O2S/c25-13-8-16(26)18(32-10-13)23(5-6-23)21(36)34-11-14(9-17(34)19(35)33-22(12-30)3-4-22)37-20-15(24(27,28)29)2-1-7-31-20/h1-2,7-8,10,14,17H,3-6,9,11H2,(H,33,35)/t14-,17+/m1/s1
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n/an/a 1.00E+4n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240620
PNG
(US9409882, 25)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ncccc1C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF4N5O4S/c25-13-8-16(26)18(32-10-13)23(5-6-23)21(36)34-11-14(9-17(34)19(35)33-22(12-30)3-4-22)39(37,38)20-15(24(27,28)29)2-1-7-31-20/h1-2,7-8,10,14,17H,3-6,9,11H2,(H,33,35)/t14-,17+/m1/s1
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n/an/a 1.32E+4n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240605
PNG
(US9409882, 10)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ncccc1Cl |r|
Show InChI InChI=1S/C23H20Cl2FN5O2S/c24-13-8-16(26)18(29-10-13)23(5-6-23)21(33)31-11-14(34-20-15(25)2-1-7-28-20)9-17(31)19(32)30-22(12-27)3-4-22/h1-2,7-8,10,14,17H,3-6,9,11H2,(H,30,32)/t14-,17+/m1/s1
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n/an/a 1.59E+4n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240641
PNG
(US9409882, 46)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cccn1 |r|
Show InChI InChI=1S/C27H24ClFN6O4S/c28-17-12-19(29)23(31-14-17)27(8-9-27)25(37)34-15-18(13-21(34)24(36)33-26(16-30)6-7-26)40(38,39)22-5-2-1-4-20(22)35-11-3-10-32-35/h1-5,10-12,14,18,21H,6-9,13,15H2,(H,33,36)/t18-,21+/m1/s1
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n/an/a 1.74E+4n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240643
PNG
(US9409882, 48)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cncn1 |r|
Show InChI InChI=1S/C26H23ClFN7O4S/c27-16-9-18(28)22(31-11-16)26(7-8-26)24(37)34-12-17(10-20(34)23(36)33-25(13-29)5-6-25)40(38,39)21-4-2-1-3-19(21)35-15-30-14-32-35/h1-4,9,11,14-15,17,20H,5-8,10,12H2,(H,33,36)/t17-,20+/m1/s1
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n/an/a 2.11E+4n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240611
PNG
(US9409882, 16)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)Sc1ncc(cc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C24H19Cl2F4N5O2S/c25-13-6-16(27)18(32-9-13)23(3-4-23)21(37)35-10-14(7-17(35)19(36)34-22(11-31)1-2-22)38-20-15(26)5-12(8-33-20)24(28,29)30/h5-6,8-9,14,17H,1-4,7,10H2,(H,34,36)/t14-,17+/m1/s1
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n/an/a>2.50E+4n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240640
PNG
(US9409882, 45)
Show SMILES Fc1cc(I)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1cncn1 |r|
Show InChI InChI=1S/C26H23FIN7O4S/c27-18-9-16(28)11-31-22(18)26(7-8-26)24(37)34-12-17(10-20(34)23(36)33-25(13-29)5-6-25)40(38,39)21-4-2-1-3-19(21)35-15-30-14-32-35/h1-4,9,11,14-15,17,20H,5-8,10,12H2,(H,33,36)/t17-,20+/m1/s1
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n/an/a 2.84E+4n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM240642
PNG
(US9409882, 47)
Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1-n1ccnn1 |r|
Show InChI InChI=1S/C26H23ClFN7O4S/c27-16-11-18(28)22(30-13-16)26(7-8-26)24(37)34-14-17(12-20(34)23(36)32-25(15-29)5-6-25)40(38,39)21-4-2-1-3-19(21)35-10-9-31-33-35/h1-4,9-11,13,17,20H,5-8,12,14H2,(H,32,36)/t17-,20+/m1/s1
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n/an/a 3.52E+4n/an/an/an/a6.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...

US Patent US9409882 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HNF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%