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Patent code US10172843

Compile Data Set for Download or QSAR
Found 81 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))
BDBM315338
PNG
(3-{1-[5-Methyl-2-(4- trifluoromethanesulfonyl- phe...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(cc1)S(=O)(=O)C(F)(F)F
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n/an/a 24n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315341
PNG
(1-Methyl-3-{1-[5- methyl-2-(4- trifluoromethanesul...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(cc1)S(=O)(=O)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315306
PNG
(3-{1-[2-(3-Chloro-4- trifluoromethyl-phenyl)- 5-me...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(c(Cl)c1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315337
PNG
(3-{1-[1,5-Dimethyl-2-(4- trifluoromethyl-phenyl)- ...)
Show SMILES Cc1c(CN2CCC(CC2)N2Cc3ccccc3NC2=O)nc(-c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1S/C26H28F3N5O/c1-17-23(30-24(32(17)2)18-7-9-20(10-8-18)26(27,28)29)16-33-13-11-21(12-14-33)34-15-19-5-3-4-6-22(19)31-25(34)35/h3-10,21H,11-16H2,1-2H3,(H,31,35)
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315340
PNG
(3-{1-[2-(4- Methanesulfonyl- phenyl)-5-methyl-1H- ...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(cc1)S(C)(=O)=O
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315346
PNG
(3-{1-[5-Methyl-2-(4- phenylmethanesulfonyl- phenyl...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(cc1)S(=O)(=O)Cc1ccccc1
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n/an/a 99n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315311
PNG
(3-{1-[2-(3-Chloro-4- trifluoromethyl-phenyl)- 5-me...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)c1c[nH]c2ncccc12)-c1ccc(c(Cl)c1)C(F)(F)F
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n/an/a 110n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315299
PNG
((6-Chloro-3-{1-[5- methyl-2-(4- trifluoromethyl-ph...)
Show SMILES COC(=O)Cn1c2cc(Cl)ccc2n(C2CCN(Cc3nc([nH]c3C)-c3ccc(cc3)C(F)(F)F)CC2)c1=O
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315320
PNG
(1-(2-Methoxy-ethyl)-3- {1-[5-methyl-2-(4- trifluor...)
Show SMILES COCCN1C(=O)N(Cc2ccccc12)C1CCN(Cc2nc([nH]c2C)-c2ccc(cc2)C(F)(F)F)CC1
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315319
PNG
(1-Methyl-3-{1-[5- methyl-2-(4- trifluoromethyl-phe...)
Show SMILES CN1C(=O)N(Cc2ccccc12)C1CCN(Cc2nc([nH]c2C)-c2ccc(cc2)C(F)(F)F)CC1
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n/an/a 145n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315313
PNG
(3-{1-[2-(3-Fluoro-4- trifluoromethyl-phenyl)- 5-me...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(c(F)c1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315292
PNG
(5-Chloro-3-ethyl-1-{1- [5-methyl-2-(4- trifluorome...)
Show SMILES CCn1c2cc(Cl)ccc2n(C2CCN(Cc3nc([nH]c3C)-c3ccc(cc3)C(F)(F)F)CC2)c1=O
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315343
PNG
(3-{1-[5-Methyl-2-(4- trifluoromethanesulfonyl- phe...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)c1c[nH]c2ccncc12)-c1ccc(cc1)S(=O)(=O)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315347
PNG
(1-Methyl-3-{1-[5- methyl-2-(4- phenylmethanesulfon...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Cc1ccccc1
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315339
PNG
(1-{1-[2-(4- Methanesulfonyl- phenyl)-5-methyl-1H- ...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(cc1)S(C)(=O)=O
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315291
PNG
(7-Fluoro-3-{1-[5-methyl- 2-(4-trifluoromethyl- phe...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccc(F)cc2NC1=O)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315275
PNG
(US10172843, Example 9 | l-{1-[5-Methyl-2-(4- trifl...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2cc(ccc2[nH]c1=O)N1CCCC1)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315294
PNG
(3-{1-[5-Methyl-2-(4- trifluoromethyl-phenyl)- 1H-i...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315283
PNG
(6-Bromo-3-[1-[[2-[4- (trifluoromethyl)phenyl]- 1H-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(CN2CCC(CC2)N2Cc3cc(Br)ccc3NC2=O)[nH]1
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315284
PNG
(5-Chloro-3-methyl-1-{1- [5-methyl-2-(4- trifluorom...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccc(Cl)cc2n(C)c1=O)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315293
PNG
(5-Chloro-3-(2-methoxy- ethyl)-1-{1-[5-methyl-2- (4...)
Show SMILES COCCn1c2cc(Cl)ccc2n(C2CCN(Cc3nc([nH]c3C)-c3ccc(cc3)C(F)(F)F)CC2)c1=O
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315322
PNG
(3-{1-[5-Benzyl-2-(4- trifluoromethyl-phenyl)- 1H-i...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(CN2CCC(CC2)N2Cc3ccccc3NC2=O)c(Cc2ccccc2)[nH]1
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315296
PNG
(5-Chloro-3-(2-hydroxy-ethyl)-1-{1-[5-methyl-2-(4-t...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccc(Cl)cc2n(CCO)c1=O)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315305
PNG
(1-{1-[2-(3-Chloro-4- trifluoromethyl-phenyl)- 5-me...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(c(Cl)c1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315336
PNG
(1-{1-[1,5-Dimethyl-2-(4- trifluoromethyl-phenyl)- ...)
Show SMILES Cc1c(CN2CCC(CC2)n2c3ccccc3n(C)c2=O)nc(-c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1S/C26H28F3N5O/c1-17-21(30-24(31(17)2)18-8-10-19(11-9-18)26(27,28)29)16-33-14-12-20(13-15-33)34-23-7-5-4-6-22(23)32(3)25(34)35/h4-11,20H,12-16H2,1-3H3
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n/an/a 245n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315273
PNG
(5-Chloro-1-{1-[5- methyl-2-(4- trifluoromethyl-phe...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)-c1ccc(cc1)C(F)(F)F
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n/an/a 245n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315301
PNG
(5-Chloro-3-(2- methanesulfonyl-ethyl)- 1-{1-[5-met...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccc(Cl)cc2n(CCS(C)(=O)=O)c1=O)-c1ccc(cc1)C(F)(F)F
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n/an/a 257n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315266
PNG
(1-Methyl-3-{1-[5-methyl-2-(4-trifluoromethyl-pheny...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315295
PNG
(Acetic acid 2-(6-chloro- 3-{1-[5-methyl-2-(4- trif...)
Show SMILES CC(=O)OCCn1c2cc(Cl)ccc2n(C2CCN(Cc3nc([nH]c3C)-c3ccc(cc3)C(F)(F)F)CC2)c1=O
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315276
PNG
(1-{1-[5-Methyl-2-(4- trifluoromethyl-phenyl)- 1H-i...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2cc(ccc2[nH]c1=O)N1CCOCC1)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315325
PNG
(3-{1-[2-(2-Chloro-4- trifluoromethyl-phenyl)- 5-me...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(cc1Cl)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315308
PNG
(3-{1-[2-(3,4-Dichloro- phenyl)-5-methyl-1H- imidaz...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(Cl)c(Cl)c1
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315328
PNG
(3-{1-[5-Propyl-2-(4- trifluoromethyl-phenyl)- 1H-i...)
Show SMILES CCCc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315311
PNG
(3-{1-[2-(3-Chloro-4- trifluoromethyl-phenyl)- 5-me...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)c1c[nH]c2ncccc12)-c1ccc(c(Cl)c1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315297
PNG
(2-(6-Chloro-3-{1-[5- methyl-2-(4- trifluoromethyl-...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccc(Cl)cc2n(CC(N)=O)c1=O)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315342
PNG
(3-{1-[1-(2-Methoxy- ethyl)-5-methyl-2-(4- trifluor...)
Show SMILES COCCn1c(C)c(CN2CCC(CC2)N2Cc3ccccc3NC2=O)nc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H32F3N5O2/c1-19-25(32-26(35(19)15-16-38-2)20-7-9-22(10-8-20)28(29,30)31)18-34-13-11-23(12-14-34)36-17-21-5-3-4-6-24(21)33-27(36)37/h3-10,23H,11-18H2,1-2H3,(H,33,37)
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315298
PNG
(2-(6-Chloro-3-{1-[5- methyl-2-(4- trifluoromethyl-...)
Show SMILES CNC(=O)Cn1c2cc(Cl)ccc2n(C2CCN(Cc3nc([nH]c3C)-c3ccc(cc3)C(F)(F)F)CC2)c1=O
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315321
PNG
(3-{1-[5-(2-Methoxy- ethyl)-2-(4- trifluoromethyl-p...)
Show SMILES COCCc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315310
PNG
(1-{1-[2-(3-Fluoro-4- trifluoromethyl-phenyl)- 5-me...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(c(F)c1)C(F)(F)F
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n/an/a 385n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315272
PNG
(1-{1-[5-Methyl-2-(4- trifluoromethyl-phenyl)- 1H-i...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315309
PNG
(5-Chloro-1-{1-[5- methyl-2-(4- trifluoromethyl-phe...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1C(=O)Cc2cc(Cl)ccc12)-c1ccc(cc1)C(F)(F)F
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n/an/a 445n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315314
PNG
(3-{1-[2-(3,4-Dichloro- phenyl)-5-methyl-1H- imidaz...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccc(F)cc2NC1=O)-c1ccc(Cl)c(Cl)c1
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315332
PNG
(3-{1-[1-Methyl-5-(4- trifluoromethyl-phenyl)- 1H-[...)
Show SMILES Cn1nc(CN2CCC(CC2)N2Cc3ccccc3NC2=O)nc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N6O/c1-31-22(16-6-8-18(9-7-16)24(25,26)27)29-21(30-31)15-32-12-10-19(11-13-32)33-14-17-4-2-3-5-20(17)28-23(33)34/h2-9,19H,10-15H2,1H3,(H,28,34)
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315268
PNG
(1-{1-[5-Methyl-2-(4- trifluoromethyl-phenyl)- 1H-i...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1cnc2ccccc12)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315277
PNG
(6-(4-Methyl-piperazin-1- yl)-1-{1-[5-methyl-2-(4- ...)
Show SMILES CN1CCN(CC1)c1ccc2[nH]c(=O)n(C3CCN(Cc4nc([nH]c4C)-c4ccc(cc4)C(F)(F)F)CC3)c2c1
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315285
PNG
(4-{1-[5-Methyl-2-(4- trifluoromethyl-phenyl)- 1H-i...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1C(=O)COc2ccccc12)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315304
PNG
(3-{1-[5-Methyl-2-(4- trifluoromethyl-phenyl)- 1H-i...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)c1c[nH]c2ncccc12)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315331
PNG
(1-Methyl-3-{1-[2- methyl-5-(4- trifluoromethyl-phe...)
Show SMILES Cn1nc(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N6O/c1-30-19-5-3-4-6-20(19)33(23(30)34)18-11-13-32(14-12-18)15-21-28-22(29-31(21)2)16-7-9-17(10-8-16)24(25,26)27/h3-10,18H,11-15H2,1-2H3
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315278
PNG
(5-(4-Bromophenyl)-3-[1-[[4-methyl-2-[4-(trifluorom...)
Show SMILES Cc1nc([nH]c1CN1CCC(CC1)n1cc([nH]c1=O)-c1ccc(Br)cc1)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315303
PNG
(6-Fluoro-3-{1-[5-methyl- 2-(4-trifluoromethyl- phe...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)c1noc2cc(F)ccc12)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315316
PNG
(3-{1-[2-(4-Chloro-3- fluoro-phenyl)-5-methyl- 1H-i...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(C)c(F)c1
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315334
PNG
(3-{1-[4-Methyl-1-(4- trifluoromethyl-phenyl)- 1H-p...)
Show SMILES Cc1cn(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O/c1-17-14-33(21-8-6-19(7-9-21)25(26,27)28)30-23(17)16-31-12-10-20(11-13-31)32-15-18-4-2-3-5-22(18)29-24(32)34/h2-9,14,20H,10-13,15-16H2,1H3,(H,29,34)
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315329
PNG
(3-{1-[5-Methyl-2-(4- trifluoromethyl-phenyl)- 1H-i...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)c1c[nH]c2ccncc12)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315302
PNG
(3-{1-[5-Methyl-2-(4- trifluoromethyl-phenyl)- 1H-i...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)c1c[nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315267
PNG
(1-{1-[5-Methyl-2-(4- trifluoromethyl-phenyl)- 1H-i...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1C(=O)Cc2ccccc12)-c1ccc(cc1)C(F)(F)F
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315307
PNG
(1-{1-[2-(3,4-Dichloro- phenyl)-5-methyl-1H- imidaz...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(Cl)c(Cl)c1
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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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315326
PNG
(1-{1-[2-(2-Chloro-4- trifluoromethyl-phenyl)- 5-me...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(cc1Cl)C(F)(F)F
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n/an/a 915n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315330
PNG
(1-Methyl-3-{1-[5-propyl- 2-(4-trifluoromethyl- phe...)
Show SMILES CCCc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(cc1)C(F)(F)F
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n/an/a 928n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315300
PNG
((6-Chloro-3-{1-[5-methyl-2-(4-trifluoromethyl-phen...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccc(Cl)cc2n(CC(O)=O)c1=O)-c1ccc(cc1)C(F)(F)F
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n/an/a 930n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315290
PNG
(1-Methyl-3-{1-[5- phenyl-2-(4- trifluoromethyl-phe...)
Show SMILES Cn1c2ccccc2n(C2CCN(Cc3nc([nH]c3-c3ccccc3)-c3ccc(cc3)C(F)(F)F)CC2)c1=O
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n/an/a 985n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315323
PNG
(3-{1-[2-(2,4-Dichloro- phenyl)-5-methyl-1H- imidaz...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(Cl)cc1Cl
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n/an/a 995n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315289
PNG
(5-Chloro-1-{1-[2-(3- chloro-4-methyl-phenyl)- 5-me...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)-c1ccc(C)c(Cl)c1
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n/an/a 1.02E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315286
PNG
(5-Chloro-1-{1-[2-(4- chloro-phenyl)-5-methyl- 1H-i...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)-c1ccc(Cl)cc1
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n/an/a 1.04E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315344
PNG
(3-(1-{5-Methyl-2-[4-(2- methyl-propane-1- sulfonyl...)
Show SMILES CC(C)CS(=O)(=O)c1ccc(cc1)-c1nc(CN2CCC(CC2)N2Cc3ccccc3NC2=O)c(C)[nH]1
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n/an/a 1.07E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315315
PNG
(3-{1-[2-(3,4-Dichloro- phenyl)-5-methyl-1H- imidaz...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)c1c[nH]c2ncccc12)-c1ccc(Cl)c(Cl)c1
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n/an/a 1.20E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315318
PNG
(3-{1-[3-Methyl-1-(4-trifluoromethyl-phenyl)-1H-pyr...)
Show SMILES Cc1nn(cc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O/c1-17-19(16-33(30-17)22-8-6-20(7-9-22)25(26,27)28)14-31-12-10-21(11-13-31)32-15-18-4-2-3-5-23(18)29-24(32)34/h2-9,16,21H,10-15H2,1H3,(H,29,34)
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n/an/a 1.38E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315333
PNG
(1-Methyl-3-{1-[1- methyl-5-(4- trifluoromethyl-phe...)
Show SMILES Cn1nc(CN2CCC(CC2)n2c3ccccc3n(C)c2=O)nc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N6O/c1-30-19-5-3-4-6-20(19)33(23(30)34)18-11-13-32(14-12-18)15-21-28-22(31(2)29-21)16-7-9-17(10-8-16)24(25,26)27/h3-10,18H,11-15H2,1-2H3
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n/an/a 1.38E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315281
PNG
(5-(4-Bromophenyl)-2-[1- [[2-[4- (trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(CN2CCC(CC2)n2nc([nH]c2=O)-c2ccc(Br)cc2)[nH]1
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n/an/a 1.50E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315335
PNG
(1-Methyl-3-{1-[4- methyl-1-(4- trifluoromethyl-phe...)
Show SMILES Cc1cn(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O/c1-17-15-32(19-9-7-18(8-10-19)25(26,27)28)29-21(17)16-31-13-11-20(12-14-31)33-23-6-4-3-5-22(23)30(2)24(33)34/h3-10,15,20H,11-14,16H2,1-2H3
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n/an/a 1.67E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315317
PNG
(1-{1-[2-(4-Chloro-3- fluoro-phenyl)-5-methyl- 1H-i...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(Cl)c(F)c1
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n/an/a 1.85E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315327
PNG
(3-{1-[5-(2-Methoxy- ethyl)-2-(4- trifluoromethyl-p...)
Show SMILES COCCc1[nH]c(nc1CN1CCC(CC1)c1c[nH]c2ccncc12)-c1ccc(cc1)C(F)(F)F
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n/an/a 1.94E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315288
PNG
(5-Chloro-1-{1-[2-(3- fluoro-4-methyl-phenyl)- 5-me...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)-c1ccc(C)c(F)c1
PDB
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n/an/a 1.96E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315271
PNG
(1-Methyl-3-{1-[5- methyl-2-(4- trifluoromethyl-phe...)
Show SMILES Cc1sc(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4OS/c1-16-20(29-23(34-16)17-7-9-18(10-8-17)25(26,27)28)15-31-13-11-19(12-14-31)32-22-6-4-3-5-21(22)30(2)24(32)33/h3-10,19H,11-15H2,1-2H3
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n/an/a 2.05E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315270
PNG
(1-Methyl-3-{1-[5- methyl-2-(4- trifluoromethyl-phe...)
Show SMILES Cc1oc(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O2/c1-16-20(29-23(34-16)17-7-9-18(10-8-17)25(26,27)28)15-31-13-11-19(12-14-31)32-22-6-4-3-5-21(22)30(2)24(32)33/h3-10,19H,11-15H2,1-2H3
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n/an/a 2.55E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315279
PNG
(1-[1-[[4-Methyl-2-[4- (trifluoromethyl)phenyl]- 1H...)
Show SMILES Cc1nc([nH]c1CN1CCC(CC1)n1cnc2c1cc[nH]c2=O)-c1ccc(cc1)C(F)(F)F
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n/an/a 2.75E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315345
PNG
(1-Methyl-3-(1-{5- methyl-2-[4-(2-methyl- propane-1...)
Show SMILES CC(C)CS(=O)(=O)c1ccc(cc1)-c1nc(CN2CCC(CC2)n2c3ccccc3n(C)c2=O)c(C)[nH]1
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n/an/a 2.87E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315274
PNG
(1-[1-[[4-Methyl-2-[4- (trifluoromethyl)phenyl]- 1H...)
Show SMILES Cc1nc([nH]c1CN1CCC(CC1)N1CCCCC1=O)-c1ccc(cc1)C(F)(F)F
PDB
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n/an/a 3.28E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315324
PNG
(1-{1-[2-(2,4-Dichloro- phenyl)-5-methyl-1H- imidaz...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(Cl)cc1Cl
PDB
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n/an/a 3.35E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315287
PNG
(5-Chloro-1-[1-(5-methyl- 2-p-tolyl-1H-imidazol-4- ...)
Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)-c1ccc(C)cc1
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n/an/a 4.07E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315280
PNG
(1-[1-[[2-[4- (Trifluoromethyl)phenyl]- 1H-imidazol...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(CN2CCC(CC2)n2cnc3c2cc[nH]c3=O)[nH]1
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n/an/a 4.32E+3n/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 US10172843 (2019)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM315281
PNG
(5-(4-Bromophenyl)-2-[1- [[2-[4- (trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(CN2CCC(CC2)n2nc([nH]c2=O)-c2ccc(Br)cc2)[nH]1
PDB
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n/an/a 4.56E+3n/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 US10172843 (2019)

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