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Patent code US10689339

Compile Data Set for Download or QSAR
Found 69 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447439
PNG
((2S,4R)-4-[4-(5-Methyl-tetrazol-1-yl)-2-trifluorom...)
Show SMILES Cc1nnnn1-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C23H21F6N7O4S/c1-12-32-33-34-36(12)13-2-3-17(15(8-13)22(24,25)26)41(39,40)14-9-16(18(37)31-20(11-30)4-5-20)35(10-14)19(38)21(6-7-21)23(27,28)29/h2-3,8,14,16H,4-7,9-10H2,1H3,(H,31,37)/t14-,16+/m1/s1
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n/an/a 0.349n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447446
PNG
((2S,4R)-4-(4-[1,2,3]Triazol-1-yl-2-trifluoromethyl...)
Show SMILES FC(F)(F)c1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-n1ccnn1
Show InChI InChI=1S/C23H20F6N6O4S/c24-22(25,26)15-9-13(35-8-7-31-33-35)1-2-17(15)40(38,39)14-10-16(18(36)32-20(12-30)3-4-20)34(11-14)19(37)21(5-6-21)23(27,28)29/h1-2,7-9,14,16H,3-6,10-11H2,(H,32,36)/t14-,16+/m1/s1
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n/an/a 0.382n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447418
PNG
((2S,4R)-4-(4-(1H-1,2,4-triazol-1-yl)-2-(trifluorom...)
Show SMILES FC(F)(F)c1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-n1cncn1
Show InChI InChI=1S/C23H20F6N6O4S/c24-22(25,26)15-7-13(35-12-31-11-32-35)1-2-17(15)40(38,39)14-8-16(18(36)33-20(10-30)3-4-20)34(9-14)19(37)21(5-6-21)23(27,28)29/h1-2,7,11-12,14,16H,3-6,8-9H2,(H,33,36)/t14-,16+/m1/s1
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n/an/a 0.391n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447431
PNG
((2S,4R)-4-(4-(2-aminopyrimidin-5-yl)phenylsulfonyl...)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C24H23F3N6O4S/c25-24(26,27)23(7-8-23)20(35)33-12-17(9-18(33)19(34)32-22(13-28)5-6-22)38(36,37)16-3-1-14(2-4-16)15-10-30-21(29)31-11-15/h1-4,10-11,17-18H,5-9,12H2,(H,32,34)(H2,29,30,31)/t17-,18+/m1/s1
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n/an/a 0.483n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447444
PNG
((2S,4R)-4-(2-chloro-4-(5-methyl-1H-1,2,4-triazol-1...)
Show SMILES Cc1ncnn1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C23H22ClF3N6O4S/c1-13-29-12-30-33(13)14-2-3-18(16(24)8-14)38(36,37)15-9-17(19(34)31-21(11-28)4-5-21)32(10-15)20(35)22(6-7-22)23(25,26)27/h2-3,8,12,15,17H,4-7,9-10H2,1H3,(H,31,34)/t15-,17+/m1/s1
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n/an/a 0.486n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447445
PNG
((2S,4R)-4-(4-[1,2,3]Triazol-2-yl-2-trifluoromethyl...)
Show SMILES FC(F)(F)c1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-n1nccn1
Show InChI InChI=1S/C23H20F6N6O4S/c24-22(25,26)15-9-13(35-31-7-8-32-35)1-2-17(15)40(38,39)14-10-16(18(36)33-20(12-30)3-4-20)34(11-14)19(37)21(5-6-21)23(27,28)29/h1-2,7-9,14,16H,3-6,10-11H2,(H,33,36)/t14-,16+/m1/s1
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n/an/a 0.506n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447436
PNG
((2S,4R)-4-(4-(2-aminopyrimidin-5-yl)-2-methylpheny...)
Show SMILES Cc1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-c1cnc(N)nc1
Show InChI InChI=1S/C25H25F3N6O4S/c1-14-8-15(16-10-31-22(30)32-11-16)2-3-19(14)39(37,38)17-9-18(20(35)33-23(13-29)4-5-23)34(12-17)21(36)24(6-7-24)25(26,27)28/h2-3,8,10-11,17-18H,4-7,9,12H2,1H3,(H,33,35)(H2,30,31,32)/t17-,18+/m1/s1
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n/an/a 0.510n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447448
PNG
((2S,4R)-4-[4-(1-Difluoromethyl-1Hpyrazol-4-yl)-2-t...)
Show SMILES FC(F)n1cc(cn1)-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C25H21F8N5O4S/c26-21(27)38-10-14(9-35-38)13-1-2-18(16(7-13)24(28,29)30)43(41,42)15-8-17(19(39)36-22(12-34)3-4-22)37(11-15)20(40)23(5-6-23)25(31,32)33/h1-2,7,9-10,15,17,21H,3-6,8,11H2,(H,36,39)/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447360
PNG
((2S,4R)-4-(2-chloro-4-(3-methyl-1H-1,2,4-triazol-1...)
Show SMILES Cc1ncn(n1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C23H22ClF3N6O4S/c1-13-29-12-33(31-13)14-2-3-18(16(24)8-14)38(36,37)15-9-17(19(34)30-21(11-28)4-5-21)32(10-15)20(35)22(6-7-22)23(25,26)27/h2-3,8,12,15,17H,4-7,9-10H2,1H3,(H,30,34)/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447313
PNG
((2S,4R)-4-(2-chloro-4-(5-methyl-2H-tetrazol-2-yl)p...)
Show SMILES Cc1nnn(n1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C22H21ClF3N7O4S/c1-12-29-31-33(30-12)13-2-3-17(15(23)8-13)38(36,37)14-9-16(18(34)28-20(11-27)4-5-20)32(10-14)19(35)21(6-7-21)22(24,25)26/h2-3,8,14,16H,4-7,9-10H2,1H3,(H,28,34)/t14-,16+/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447423
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(4-(5-methyl-1H-1...)
Show SMILES Cc1ncnn1-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C24H22F6N6O4S/c1-13-32-12-33-36(13)14-2-3-18(16(8-14)23(25,26)27)41(39,40)15-9-17(19(37)34-21(11-31)4-5-21)35(10-15)20(38)22(6-7-22)24(28,29)30/h2-3,8,12,15,17H,4-7,9-10H2,1H3,(H,34,37)/t15-,17+/m1/s1
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n/an/a 0.540n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447419
PNG
((2S,4R)-4-[4-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-2-...)
Show SMILES Cc1nc(C)n(n1)-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C25H24F6N6O4S/c1-13-33-14(2)37(35-13)15-3-4-19(17(9-15)24(26,27)28)42(40,41)16-10-18(20(38)34-22(12-32)5-6-22)36(11-16)21(39)23(7-8-23)25(29,30)31/h3-4,9,16,18H,5-8,10-11H2,1-2H3,(H,34,38)/t16-,18+/m1/s1
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n/an/a 0.558n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447340
PNG
((2S,4R)-4-(2-chloro-4-(2H-1,2,3-triazol-2-yl)pheny...)
Show SMILES FC(F)(F)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-n1nccn1
Show InChI InChI=1S/C22H20ClF3N6O4S/c23-15-9-13(32-28-7-8-29-32)1-2-17(15)37(35,36)14-10-16(18(33)30-20(12-27)3-4-20)31(11-14)19(34)21(5-6-21)22(24,25)26/h1-2,7-9,14,16H,3-6,10-11H2,(H,30,33)/t14-,16+/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447408
PNG
((2S,4R)-4-(2-chloro-4-(3-chloro-1H-1,2,4-triazol-1...)
Show SMILES FC(F)(F)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-n1cnc(Cl)n1
Show InChI InChI=1S/C22H19Cl2F3N6O4S/c23-14-7-12(33-11-29-19(24)31-33)1-2-16(14)38(36,37)13-8-15(17(34)30-20(10-28)3-4-20)32(9-13)18(35)21(5-6-21)22(25,26)27/h1-2,7,11,13,15H,3-6,8-9H2,(H,30,34)/t13-,15+/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447449
PNG
((2S,4R)-4-[4-(5-Methyl-tetrazol-2-yl)-2-trifluorom...)
Show SMILES Cc1nnn(n1)-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C23H21F6N7O4S/c1-12-32-34-36(33-12)13-2-3-17(15(8-13)22(24,25)26)41(39,40)14-9-16(18(37)31-20(11-30)4-5-20)35(10-14)19(38)21(6-7-21)23(27,28)29/h2-3,8,14,16H,4-7,9-10H2,1H3,(H,31,37)/t14-,16+/m1/s1
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n/an/a 0.564n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447343
PNG
((2S,4R)-4-(2-chloro-4-(1H-1,2,3-triazol-1-yl)pheny...)
Show SMILES FC(F)(F)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-n1ccnn1
Show InChI InChI=1S/C22H20ClF3N6O4S/c23-15-9-13(32-8-7-28-30-32)1-2-17(15)37(35,36)14-10-16(18(33)29-20(12-27)3-4-20)31(11-14)19(34)21(5-6-21)22(24,25)26/h1-2,7-9,14,16H,3-6,10-11H2,(H,29,33)/t14-,16+/m1/s1
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n/an/a 0.568n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447457
PNG
((2S,4R)-4-(4-Tetrazol-1-yl-2-trifluoromethyl-benze...)
Show SMILES FC(F)(F)c1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-n1cnnn1
Show InChI InChI=1S/C22H19F6N7O4S/c23-21(24,25)14-7-12(35-11-30-32-33-35)1-2-16(14)40(38,39)13-8-15(17(36)31-19(10-29)3-4-19)34(9-13)18(37)20(5-6-20)22(26,27)28/h1-2,7,11,13,15H,3-6,8-9H2,(H,31,36)/t13-,15+/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447455
PNG
((2S,4R)-4-[4-(2-Methyl-thiazol-5-yl)-2-trifluorome...)
Show SMILES Cc1ncc(s1)-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C25H22F6N4O4S2/c1-13-33-10-18(40-13)14-2-3-19(16(8-14)24(26,27)28)41(38,39)15-9-17(20(36)34-22(12-32)4-5-22)35(11-15)21(37)23(6-7-23)25(29,30)31/h2-3,8,10,15,17H,4-7,9,11H2,1H3,(H,34,36)/t15-,17+/m1/s1
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n/an/a 0.585n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447454
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(4-(2-methoxypyri...)
Show SMILES COc1ncc(cn1)-c1ccc(c(C)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C26H26F3N5O5S/c1-15-9-16(17-11-31-23(39-2)32-12-17)3-4-20(15)40(37,38)18-10-19(21(35)33-24(14-30)5-6-24)34(13-18)22(36)25(7-8-25)26(27,28)29/h3-4,9,11-12,18-19H,5-8,10,13H2,1-2H3,(H,33,35)/t18-,19+/m1/s1
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n/an/a 0.592n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447407
PNG
((2S,4R)-4-(2-chloro-4-(3,5-dimethyl-1H-1,2,4-triaz...)
Show SMILES Cc1nc(C)n(n1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C24H24ClF3N6O4S/c1-13-30-14(2)34(32-13)15-3-4-19(17(25)9-15)39(37,38)16-10-18(20(35)31-22(12-29)5-6-22)33(11-16)21(36)23(7-8-23)24(26,27)28/h3-4,9,16,18H,5-8,10-11H2,1-2H3,(H,31,35)/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447453
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(2-methyl-4-(2-me...)
Show SMILES Cc1ncc(s1)-c1ccc(c(C)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C25H25F3N4O4S2/c1-14-9-16(19-11-30-15(2)37-19)3-4-20(14)38(35,36)17-10-18(21(33)31-23(13-29)5-6-23)32(12-17)22(34)24(7-8-24)25(26,27)28/h3-4,9,11,17-18H,5-8,10,12H2,1-2H3,(H,31,33)/t17-,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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447452
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(4-(2,4-dimethylt...)
Show SMILES Cc1nc(C)c(s1)-c1ccc(c(C)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C26H27F3N4O4S2/c1-14-10-17(21-15(2)31-16(3)38-21)4-5-20(14)39(36,37)18-11-19(22(34)32-24(13-30)6-7-24)33(12-18)23(35)25(8-9-25)26(27,28)29/h4-5,10,18-19H,6-9,11-12H2,1-3H3,(H,32,34)/t18-,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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447422
PNG
((2S,4R)-4-[4-(3-Chloro-[1,2,4]triazol-1-yl)-2-trif...)
Show SMILES FC(F)(F)c1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-n1cnc(Cl)n1
Show InChI InChI=1S/C23H19ClF6N6O4S/c24-19-32-11-36(34-19)12-1-2-16(14(7-12)22(25,26)27)41(39,40)13-8-15(17(37)33-20(10-31)3-4-20)35(9-13)18(38)21(5-6-21)23(28,29)30/h1-2,7,11,13,15H,3-6,8-9H2,(H,33,37)/t13-,15+/m1/s1
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n/an/a 0.625n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447456
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(4-(3,5-dimethyli...)
Show SMILES Cc1noc(C)c1-c1ccc(c(C)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C26H27F3N4O5S/c1-14-10-17(21-15(2)32-38-16(21)3)4-5-20(14)39(36,37)18-11-19(22(34)31-24(13-30)6-7-24)33(12-18)23(35)25(8-9-25)26(27,28)29/h4-5,10,18-19H,6-9,11-12H2,1-3H3,(H,31,34)/t18-,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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447314
PNG
((2S,4R)-4-(2-chloro-4-(5-methyl-1H-tetrazol-1-yl)p...)
Show SMILES Cc1nnnn1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C22H21ClF3N7O4S/c1-12-29-30-31-33(12)13-2-3-17(15(23)8-13)38(36,37)14-9-16(18(34)28-20(11-27)4-5-20)32(10-14)19(35)21(6-7-21)22(24,25)26/h2-3,8,14,16H,4-7,9-10H2,1H3,(H,28,34)/t14-,16+/m1/s1
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n/an/a 0.683n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447316
PNG
((2S,4R)-4-(2-chloro-4-(1H-1,2,4-triazol-1-yl)pheny...)
Show SMILES FC(F)(F)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-n1cncn1
Show InChI InChI=1S/C22H20ClF3N6O4S/c23-15-7-13(32-12-28-11-29-32)1-2-17(15)37(35,36)14-8-16(18(33)30-20(10-27)3-4-20)31(9-14)19(34)21(5-6-21)22(24,25)26/h1-2,7,11-12,14,16H,3-6,8-9H2,(H,30,33)/t14-,16+/m1/s1
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n/an/a 0.686n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447409
PNG
((2S,4R)-4-(2-chloro-4-(3-(trifluoromethyl)-1H-pyra...)
Show SMILES FC(F)(F)c1ccn(n1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C24H20ClF6N5O4S/c25-15-9-13(36-8-3-18(34-36)23(26,27)28)1-2-17(15)41(39,40)14-10-16(19(37)33-21(12-32)4-5-21)35(11-14)20(38)22(6-7-22)24(29,30)31/h1-3,8-9,14,16H,4-7,10-11H2,(H,33,37)/t14-,16+/m1/s1
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n/an/a 0.704n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447442
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(4-(2-methylthiaz...)
Show SMILES Cc1ncc(s1)-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C24H23F3N4O4S2/c1-14-29-11-19(36-14)15-2-4-16(5-3-15)37(34,35)17-10-18(20(32)30-22(13-28)6-7-22)31(12-17)21(33)23(8-9-23)24(25,26)27/h2-5,11,17-18H,6-10,12H2,1H3,(H,30,32)/t17-,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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447438
PNG
((2S,4R)-1-(1-Trifluoromethyl-cyclopropanecarbonyl)...)
Show SMILES FC(F)(F)c1cnn(c1)-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C25H20F9N5O4S/c26-23(27,28)13-9-36-39(10-13)14-1-2-18(16(7-14)24(29,30)31)44(42,43)15-8-17(19(40)37-21(12-35)3-4-21)38(11-15)20(41)22(5-6-22)25(32,33)34/h1-2,7,9-10,15,17H,3-6,8,11H2,(H,37,40)/t15-,17+/m1/s1
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n/an/a 0.752n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM446861
PNG
((2S,4R)-4-[4-(2-Methyl-1-oxy-pyridin-4-yl)-2-trifl...)
Show SMILES Cc1cc(cc[n+]1[O-])-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C27H24F6N4O5S/c1-15-10-17(4-9-37(15)40)16-2-3-21(19(11-16)26(28,29)30)43(41,42)18-12-20(22(38)35-24(14-34)5-6-24)36(13-18)23(39)25(7-8-25)27(31,32)33/h2-4,9-11,18,20H,5-8,12-13H2,1H3,(H,35,38)/t18-,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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447416
PNG
((2S,4R)-4-[4-(3-Methyl-[1,2,4]triazol-1-yl)-2-trif...)
Show SMILES Cc1ncn(n1)-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C24H22F6N6O4S/c1-13-32-12-36(34-13)14-2-3-18(16(8-14)23(25,26)27)41(39,40)15-9-17(19(37)33-21(11-31)4-5-21)35(10-15)20(38)22(6-7-22)24(28,29)30/h2-3,8,12,15,17H,4-7,9-10H2,1H3,(H,33,37)/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447421
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(2′-formyl-...)
Show SMILES Cc1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-c1ccccc1C=O
Show InChI InChI=1S/C28H26F3N3O5S/c1-17-12-18(21-5-3-2-4-19(21)15-35)6-7-23(17)40(38,39)20-13-22(24(36)33-26(16-32)8-9-26)34(14-20)25(37)27(10-11-27)28(29,30)31/h2-7,12,15,20,22H,8-11,13-14H2,1H3,(H,33,36)/t20-,22+/m1/s1
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n/an/a 0.811n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447460
PNG
((2S,4R)-4-[4-(1-Methyl-3-trifluoromethyl-1Hpyrazol...)
Show SMILES Cn1cc(c(n1)C(F)(F)F)-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C26H22F9N5O4S/c1-39-11-15(19(38-39)25(30,31)32)13-2-3-18(16(8-13)24(27,28)29)45(43,44)14-9-17(20(41)37-22(12-36)4-5-22)40(10-14)21(42)23(6-7-23)26(33,34)35/h2-3,8,11,14,17H,4-7,9-10H2,1H3,(H,37,41)/t14-,17+/m1/s1
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n/an/a 0.829n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447015
PNG
((2S,4R)-4-(2′-Ethoxy-3-trifluoromethyl-biphe...)
Show SMILES CCOc1ccccc1-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C29H27F6N3O5S/c1-2-43-22-6-4-3-5-19(22)17-7-8-23(20(13-17)28(30,31)32)44(41,42)18-14-21(24(39)37-26(16-36)9-10-26)38(15-18)25(40)27(11-12-27)29(33,34)35/h3-8,13,18,21H,2,9-12,14-15H2,1H3,(H,37,39)/t18-,21+/m1/s1
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n/an/a 0.836n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447433
PNG
((2S,4R)-4-(2′-cyano-3-methylbiphenyl-4-ylsul...)
Show SMILES Cc1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-c1ccccc1C#N
Show InChI InChI=1S/C28H25F3N4O4S/c1-17-12-18(21-5-3-2-4-19(21)14-32)6-7-23(17)40(38,39)20-13-22(24(36)34-26(16-33)8-9-26)35(15-20)25(37)27(10-11-27)28(29,30)31/h2-7,12,20,22H,8-11,13,15H2,1H3,(H,34,36)/t20-,22+/m1/s1
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n/an/a 0.860n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447443
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(4-(2-methoxypyri...)
Show SMILES COc1ncc(cn1)-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C25H24F3N5O5S/c1-38-22-30-11-16(12-31-22)15-2-4-17(5-3-15)39(36,37)18-10-19(20(34)32-23(14-29)6-7-23)33(13-18)21(35)24(8-9-24)25(26,27)28/h2-5,11-12,18-19H,6-10,13H2,1H3,(H,32,34)/t18-,19+/m1/s1
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n/an/a 0.882n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447441
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(4-(2,4-dimethylt...)
Show SMILES Cc1nc(C)c(s1)-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C25H25F3N4O4S2/c1-14-20(37-15(2)30-14)16-3-5-17(6-4-16)38(35,36)18-11-19(21(33)31-23(13-29)7-8-23)32(12-18)22(34)24(9-10-24)25(26,27)28/h3-6,18-19H,7-12H2,1-2H3,(H,31,33)/t18-,19+/m1/s1
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n/an/a 0.909n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447308
PNG
((2S,4R)-4-(4-Cyclobutoxy-2-trifluoromethyl-benzene...)
Show SMILES FC(F)(F)c1cc(OC2CCC2)ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C25H25F6N3O5S/c26-24(27,28)17-10-15(39-14-2-1-3-14)4-5-19(17)40(37,38)16-11-18(20(35)33-22(13-32)6-7-22)34(12-16)21(36)23(8-9-23)25(29,30)31/h4-5,10,14,16,18H,1-3,6-9,11-12H2,(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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447451
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(2′-(hydrox...)
Show SMILES Cc1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-c1ccccc1CO
Show InChI InChI=1S/C28H28F3N3O5S/c1-17-12-18(21-5-3-2-4-19(21)15-35)6-7-23(17)40(38,39)20-13-22(24(36)33-26(16-32)8-9-26)34(14-20)25(37)27(10-11-27)28(29,30)31/h2-7,12,20,22,35H,8-11,13-15H2,1H3,(H,33,36)/t20-,22+/m1/s1
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n/an/a 0.943n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447424
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(2-methyl-4-(1-me...)
Show SMILES Cc1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-c1cc(nn1C)C(F)(F)F
Show InChI InChI=1S/C26H25F6N5O4S/c1-14-9-15(17-11-20(25(27,28)29)35-36(17)2)3-4-19(14)42(40,41)16-10-18(21(38)34-23(13-33)5-6-23)37(12-16)22(39)24(7-8-24)26(30,31)32/h3-4,9,11,16,18H,5-8,10,12H2,1-2H3,(H,34,38)/t16-,18+/m1/s1
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n/an/a 0.955n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM446809
PNG
((2S,4R)-4-[4-(2-Chloro-1-oxy-pyridin-4-yl)-2-trifl...)
Show SMILES [O-][n+]1ccc(cc1Cl)-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C26H21ClF6N4O5S/c27-20-10-15(3-8-37(20)40)14-1-2-19(17(9-14)25(28,29)30)43(41,42)16-11-18(21(38)35-23(13-34)4-5-23)36(12-16)22(39)24(6-7-24)26(31,32)33/h1-3,8-10,16,18H,4-7,11-12H2,(H,35,38)/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM446923
PNG
((2S,4R)-4-(2′-Trifluoromethoxy-3-trifluorome...)
Show SMILES FC(F)(F)Oc1ccccc1-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C28H22F9N3O5S/c29-26(30,31)18-11-15(17-3-1-2-4-20(17)45-28(35,36)37)5-6-21(18)46(43,44)16-12-19(22(41)39-24(14-38)7-8-24)40(13-16)23(42)25(9-10-25)27(32,33)34/h1-6,11,16,19H,7-10,12-13H2,(H,39,41)/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447410
PNG
((2S,4R)-4-(2-chloro-4-(5-methyl-3-(trifluoromethyl...)
Show SMILES Cc1cc(nn1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)C(F)(F)F
Show InChI InChI=1S/C25H22ClF6N5O4S/c1-13-8-19(24(27,28)29)35-37(13)14-2-3-18(16(26)9-14)42(40,41)15-10-17(20(38)34-22(12-33)4-5-22)36(11-15)21(39)23(6-7-23)25(30,31)32/h2-3,8-9,15,17H,4-7,10-11H2,1H3,(H,34,38)/t15-,17+/m1/s1
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n/an/a 0.980n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447427
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(4-(3-(trifluorom...)
Show SMILES FC(F)(F)c1ccn(n1)-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C24H21F6N5O4S/c25-23(26,27)18-5-10-35(33-18)14-1-3-15(4-2-14)40(38,39)16-11-17(19(36)32-21(13-31)6-7-21)34(12-16)20(37)22(8-9-22)24(28,29)30/h1-5,10,16-17H,6-9,11-12H2,(H,32,36)/t16-,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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM446862
PNG
((2S,4R)-4-[4-(2-Methyl-5-trifluoromethyl-2Hpyrazol...)
Show SMILES Cn1nc(cc1-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)C(F)(F)F
Show InChI InChI=1S/C26H22F9N5O4S/c1-39-16(10-19(38-39)25(30,31)32)13-2-3-18(15(8-13)24(27,28)29)45(43,44)14-9-17(20(41)37-22(12-36)4-5-22)40(11-14)21(42)23(6-7-23)26(33,34)35/h2-3,8,10,14,17H,4-7,9,11H2,1H3,(H,37,41)/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447426
PNG
((2S,4R)-4-(4-(1H-1,2,3-triazol-1-yl)phenylsulfonyl...)
Show SMILES FC(F)(F)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1)-n1ccnn1
Show InChI InChI=1S/C22H21F3N6O4S/c23-22(24,25)21(7-8-21)19(33)30-12-16(11-17(30)18(32)28-20(13-26)5-6-20)36(34,35)15-3-1-14(2-4-15)31-10-9-27-29-31/h1-4,9-10,16-17H,5-8,11-12H2,(H,28,32)/t16-,17+/m1/s1
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n/an/a 1.06n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447282
PNG
((2S,4R)-4-(2′-Cyclopropoxy-3-trifluoromethyl...)
Show SMILES FC(F)(F)c1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-c1ccccc1OC1CC1
Show InChI InChI=1S/C30H27F6N3O5S/c31-29(32,33)21-13-17(20-3-1-2-4-23(20)44-18-6-7-18)5-8-24(21)45(42,43)19-14-22(25(40)38-27(16-37)9-10-27)39(15-19)26(41)28(11-12-28)30(34,35)36/h1-5,8,13,18-19,22H,6-7,9-12,14-15H2,(H,38,40)/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447413
PNG
((2S,4R)-4-(2-chloro-4-cyclobutoxyphenylsulfonyl)-N...)
Show SMILES FC(F)(F)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(OC2CCC2)cc1Cl
Show InChI InChI=1S/C24H25ClF3N3O5S/c25-17-10-15(36-14-2-1-3-14)4-5-19(17)37(34,35)16-11-18(20(32)30-22(13-29)6-7-22)31(12-16)21(33)23(8-9-23)24(26,27)28/h4-5,10,14,16,18H,1-3,6-9,11-12H2,(H,30,32)/t16-,18+/m1/s1
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n/an/a 1.07n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447437
PNG
((2S,4R)-4-[4-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-...)
Show SMILES FC(F)(F)c1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-c1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C28H21F8N3O6S/c29-26(30,31)17-9-14(15-1-3-19-20(10-15)45-28(35,36)44-19)2-4-21(17)46(42,43)16-11-18(22(40)38-24(13-37)5-6-24)39(12-16)23(41)25(7-8-25)27(32,33)34/h1-4,9-10,16,18H,5-8,11-12H2,(H,38,40)/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447415
PNG
((2S,4R)-4-[4-(5-Methyl-3-trifluoromethyl-pyrazol-1...)
Show SMILES Cc1cc(nn1-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)C(F)(F)F
Show InChI InChI=1S/C26H22F9N5O4S/c1-13-8-19(25(30,31)32)38-40(13)14-2-3-18(16(9-14)24(27,28)29)45(43,44)15-10-17(20(41)37-22(12-36)4-5-22)39(11-15)21(42)23(6-7-23)26(33,34)35/h2-3,8-9,15,17H,4-7,10-11H2,1H3,(H,37,41)/t15-,17+/m1/s1
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n/an/a 1.12n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447414
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(3-methyl-2′...)
Show SMILES Cc1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C28H25F6N3O5S/c1-16-12-17(19-4-2-3-5-21(19)42-28(32,33)34)6-7-22(16)43(40,41)18-13-20(23(38)36-25(15-35)8-9-25)37(14-18)24(39)26(10-11-26)27(29,30)31/h2-7,12,18,20H,8-11,13-14H2,1H3,(H,36,38)/t18-,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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447440
PNG
((2S,4R)-4-[4-(2,4-Dimethyl-thiazol-5-yl)-2-trifluo...)
Show SMILES Cc1nc(C)c(s1)-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C26H24F6N4O4S2/c1-13-20(41-14(2)34-13)15-3-4-19(17(9-15)25(27,28)29)42(39,40)16-10-18(21(37)35-23(12-33)5-6-23)36(11-16)22(38)24(7-8-24)26(30,31)32/h3-4,9,16,18H,5-8,10-11H2,1-2H3,(H,35,37)/t16-,18+/m1/s1
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n/an/a 1.17n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447432
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(2′-ethoxy-...)
Show SMILES CCOc1ccccc1-c1ccc(c(C)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C29H30F3N3O5S/c1-3-40-23-7-5-4-6-21(23)19-8-9-24(18(2)14-19)41(38,39)20-15-22(25(36)34-27(17-33)10-11-27)35(16-20)26(37)28(12-13-28)29(30,31)32/h4-9,14,20,22H,3,10-13,15-16H2,1-2H3,(H,34,36)/t20-,22+/m1/s1
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n/an/a 1.21n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447411
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(2-methyl-4-(3-(t...)
Show SMILES Cc1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C25H23F6N5O4S/c1-14-10-15(36-9-4-19(34-36)24(26,27)28)2-3-18(14)41(39,40)16-11-17(20(37)33-22(13-32)5-6-22)35(12-16)21(38)23(7-8-23)25(29,30)31/h2-4,9-10,16-17H,5-8,11-12H2,1H3,(H,33,37)/t16-,17+/m1/s1
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n/an/a 1.43n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447447
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(4-(3,5-dimethyli...)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C25H25F3N4O5S/c1-14-20(15(2)37-31-14)16-3-5-17(6-4-16)38(35,36)18-11-19(21(33)30-23(13-29)7-8-23)32(12-18)22(34)24(9-10-24)25(26,27)28/h3-6,18-19H,7-12H2,1-2H3,(H,30,33)/t18-,19+/m1/s1
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n/an/a 1.44n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447434
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(2′-ethoxy-...)
Show SMILES CCOc1cc(F)c(F)cc1-c1ccc(c(C)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C29H28F5N3O5S/c1-3-42-23-13-21(31)20(30)12-19(23)17-4-5-24(16(2)10-17)43(40,41)18-11-22(25(38)36-27(15-35)6-7-27)37(14-18)26(39)28(8-9-28)29(32,33)34/h4-5,10,12-13,18,22H,3,6-9,11,14H2,1-2H3,(H,36,38)/t18-,22+/m1/s1
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n/an/a 1.46n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447425
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(4-(3,5-dimethyl-...)
Show SMILES Cc1nc(C)n(n1)-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C24H25F3N6O4S/c1-14-29-15(2)33(31-14)16-3-5-17(6-4-16)38(36,37)18-11-19(20(34)30-22(13-28)7-8-22)32(12-18)21(35)23(9-10-23)24(25,26)27/h3-6,18-19H,7-12H2,1-2H3,(H,30,34)/t18-,19+/m1/s1
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n/an/a 1.57n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447429
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(2′-formylb...)
Show SMILES FC(F)(F)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1)-c1ccccc1C=O
Show InChI InChI=1S/C27H24F3N3O5S/c28-27(29,30)26(11-12-26)24(36)33-14-20(13-22(33)23(35)32-25(16-31)9-10-25)39(37,38)19-7-5-17(6-8-19)21-4-2-1-3-18(21)15-34/h1-8,15,20,22H,9-14H2,(H,32,35)/t20-,22+/m1/s1
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n/an/a 1.89n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447420
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(4-(1-methyl-3-(t...)
Show SMILES Cn1nc(cc1-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)C(F)(F)F
Show InChI InChI=1S/C25H23F6N5O4S/c1-35-17(11-19(34-35)24(26,27)28)14-2-4-15(5-3-14)41(39,40)16-10-18(20(37)33-22(13-32)6-7-22)36(12-16)21(38)23(8-9-23)25(29,30)31/h2-5,11,16,18H,6-10,12H2,1H3,(H,33,37)/t16-,18+/m1/s1
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n/an/a 2.33n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447450
PNG
((2S,4R)-1-(1-Trifluoromethyl-cyclopropanecarbonyl)...)
Show SMILES FC(F)(F)c1n[nH]cc1-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
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n/an/a 2.42n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447428
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(4-(5-methyl-3-(t...)
Show SMILES Cc1cc(nn1-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)C(F)(F)F
Show InChI InChI=1S/C25H23F6N5O4S/c1-14-10-19(24(26,27)28)34-36(14)15-2-4-16(5-3-15)41(39,40)17-11-18(20(37)33-22(13-32)6-7-22)35(12-17)21(38)23(8-9-23)25(29,30)31/h2-5,10,17-18H,6-9,11-12H2,1H3,(H,33,37)/t17-,18+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447430
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(2′-ethoxyb...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C28H28F3N3O5S/c1-2-39-23-6-4-3-5-21(23)18-7-9-19(10-8-18)40(37,38)20-15-22(24(35)33-26(17-32)11-12-26)34(16-20)25(36)27(13-14-27)28(29,30)31/h3-10,20,22H,2,11-16H2,1H3,(H,33,35)/t20-,22+/m1/s1
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n/an/a 3.21n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447417
PNG
((2S,4R)-4-[4-(3-Methyl-[1,2,4]triazol-4-yl)-2-trif...)
Show SMILES Cc1nncn1-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C24H22F6N6O4S/c1-13-34-32-12-36(13)14-2-3-18(16(8-14)23(25,26)27)41(39,40)15-9-17(19(37)33-21(11-31)4-5-21)35(10-15)20(38)22(6-7-22)24(28,29)30/h2-3,8,12,15,17H,4-7,9-10H2,1H3,(H,33,37)/t15-,17+/m1/s1
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n/an/a 3.27n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447435
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(2′-(hydrox...)
Show SMILES OCc1ccccc1-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C27H26F3N3O5S/c28-27(29,30)26(11-12-26)24(36)33-14-20(13-22(33)23(35)32-25(16-31)9-10-25)39(37,38)19-7-5-17(6-8-19)21-4-2-1-3-18(21)15-34/h1-8,20,22,34H,9-15H2,(H,32,35)/t20-,22+/m1/s1
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n/an/a 3.57n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447412
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(2′-(triflu...)
Show SMILES FC(F)(F)Oc1ccccc1-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C27H23F6N3O5S/c28-26(29,30)25(11-12-25)23(38)36-14-18(13-20(36)22(37)35-24(15-34)9-10-24)42(39,40)17-7-5-16(6-8-17)19-3-1-2-4-21(19)41-27(31,32)33/h1-8,18,20H,9-14H2,(H,35,37)/t18-,20+/m1/s1
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n/an/a 5.72n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447333
PNG
((2S,4R)óN-(1-cyanocyclopropyl)-4-(2,4-di(1H-1,2,4-...)
Show SMILES FC(F)(F)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1-n1cncn1)-n1cncn1
Show InChI InChI=1S/C24H22F3N9O4S/c25-24(26,27)23(5-6-23)21(38)34-9-16(8-18(34)20(37)33-22(10-28)3-4-22)41(39,40)19-2-1-15(35-13-29-11-31-35)7-17(19)36-14-30-12-32-36/h1-2,7,11-14,16,18H,3-6,8-9H2,(H,33,37)/t16-,18+/m1/s1
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n/an/a 12.6n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447458
PNG
((2S,4R)-4-(4-(3-chloro-1H-1,2,4-triazol-1-yl)-2-me...)
Show SMILES Cc1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-n1cnc(Cl)n1
Show InChI InChI=1S/C23H22ClF3N6O4S/c1-13-8-14(33-12-29-20(24)31-33)2-3-17(13)38(36,37)15-9-16(18(34)30-21(11-28)4-5-21)32(10-15)19(35)22(6-7-22)23(25,26)27/h2-3,8,12,15-16H,4-7,9-10H2,1H3,(H,30,34)/t15-,16+/m1/s1
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n/an/a 223n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447461
PNG
((2S,4R)-4-(4-(3-chloro-1H-1,2,4-triazol-1-yl)pheny...)
Show SMILES FC(F)(F)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1)-n1cnc(Cl)n1
Show InChI InChI=1S/C22H20ClF3N6O4S/c23-19-28-12-32(30-19)13-1-3-14(4-2-13)37(35,36)15-9-16(17(33)29-20(11-27)5-6-20)31(10-15)18(34)21(7-8-21)22(24,25)26/h1-4,12,15-16H,5-10H2,(H,29,33)/t15-,16+/m1/s1
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n/an/a 497n/an/an/an/an/an/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 US10689339 (2020)

More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM447459
PNG
((2R,4R)-4-(4-(3-chloro-1H-1,2,4-triazol-1-yl)-2-me...)
Show SMILES Cc1cc(ccc1S(=O)(=O)[C@@H]1C[C@@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-n1cnc(Cl)n1
Show InChI InChI=1S/C23H22ClF3N6O4S/c1-13-8-14(33-12-29-20(24)31-33)2-3-17(13)38(36,37)15-9-16(18(34)30-21(11-28)4-5-21)32(10-15)19(35)22(6-7-22)23(25,26)27/h2-3,8,12,15-16H,4-7,9-10H2,1H3,(H,30,34)/t15-,16-/m1/s1
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n/an/a 542n/an/an/an/an/an/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 US10689339 (2020)

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