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USPatent US9290467

Compile data set for download or QSAR
Found 51 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
Procathepsin L


(Homo sapiens (Human))		BDBM210877
PNG
(US9290467, 47)
Show SMILES CSc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:8|
Show InChI InChI=1S/C25H24ClN3O4S/c1-34-17-5-7-21-18(14-17)23(30)28-20(24(31)29-25(15-27)8-9-25)13-16-4-6-22(19(26)12-16)33-11-3-2-10-32-21/h2-7,12,14,20H,8-11,13H2,1H3,(H,28,30)(H,29,31)/b3-2+/t20-/m0/s1
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US Patent
n/an/a 1.60n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210881
PNG
(US9290467, 51)
Show SMILES CSc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C25H26ClN3O4S/c1-34-17-5-7-21-18(14-17)23(30)28-20(24(31)29-25(15-27)8-9-25)13-16-4-6-22(19(26)12-16)33-11-3-2-10-32-21/h4-7,12,14,20H,2-3,8-11,13H2,1H3,(H,28,30)(H,29,31)/t20-/m0/s1
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n/an/a 1.60n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210873
PNG
(US9290467, 43)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(ccc3OCCCCOc1cc2)C1CNC1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C27H29ClN4O4/c28-21-11-17-3-5-24(21)36-10-2-1-9-35-23-6-4-18(19-14-30-15-19)13-20(23)25(33)31-22(12-17)26(34)32-27(16-29)7-8-27/h3-6,11,13,19,22,30H,1-2,7-10,12,14-15H2,(H,31,33)(H,32,34)/t22-/m0/s1
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n/an/a 3.10n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210875
PNG
(US9290467, 45)
Show SMILES Fc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1F)C(=O)NC1(CC1)C#N)cc3Cl |r,t:7|
Show InChI InChI=1S/C24H20ClF2N3O4/c25-15-11-14-3-5-18(15)33-9-1-2-10-34-19-6-4-16(26)21(27)20(19)23(32)29-17(12-14)22(31)30-24(13-28)7-8-24/h1-6,11,17H,7-10,12H2,(H,29,32)(H,30,31)/b2-1+/t17-/m0/s1
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n/an/a 4.30n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210871
PNG
(US9290467, 41)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(ccc3OC\C=C\COc1cc2)C1CNC1)C(=O)NC1(CC1)C#N |r,t:18|
Show InChI InChI=1S/C27H27ClN4O4/c28-21-11-17-3-5-24(21)36-10-2-1-9-35-23-6-4-18(19-14-30-15-19)13-20(23)25(33)31-22(12-17)26(34)32-27(16-29)7-8-27/h1-6,11,13,19,22,30H,7-10,12,14-15H2,(H,31,33)(H,32,34)/b2-1+/t22-/m0/s1
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n/an/a 5.20n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Procathepsin L


(Homo sapiens (Human))		BDBM210870
PNG
(US9290467, 40)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(ccc3OC\C=C\COc1cc2)C#N)C(=O)NC1(CC1)C#N |r,t:18|
Show InChI InChI=1S/C25H21ClN4O4/c26-19-12-16-3-6-22(19)34-10-2-1-9-33-21-5-4-17(14-27)11-18(21)23(31)29-20(13-16)24(32)30-25(15-28)7-8-25/h1-6,11-12,20H,7-10,13H2,(H,29,31)(H,30,32)/b2-1+/t20-/m0/s1
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n/an/a 6.90n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210867
PNG
(US9290467, 37)
Show SMILES FC(F)(F)c1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C25H23ClF3N3O4/c26-18-11-15-3-5-21(18)36-10-2-1-9-35-20-6-4-16(25(27,28)29)13-17(20)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,31,33)(H,32,34)/t19-/m0/s1
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n/an/a 9n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210864
PNG
(US9290467, 34)
Show SMILES FC(F)(F)c1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:10|
Show InChI InChI=1S/C25H21ClF3N3O4/c26-18-11-15-3-5-21(18)36-10-2-1-9-35-20-6-4-16(25(27,28)29)13-17(20)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h1-6,11,13,19H,7-10,12H2,(H,31,33)(H,32,34)/b2-1+/t19-/m0/s1
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n/an/a 9n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210874
PNG
(US9290467, 44)
Show SMILES Fc1cc(F)c2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:8|
Show InChI InChI=1S/C24H20ClF2N3O4/c25-17-9-14-3-4-20(17)33-7-1-2-8-34-21-16(11-15(26)12-18(21)27)22(31)29-19(10-14)23(32)30-24(13-28)5-6-24/h1-4,9,11-12,19H,5-8,10H2,(H,29,31)(H,30,32)/b2-1+/t19-/m0/s1
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n/an/a 9.20n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210835
PNG
(US9290467, 5)
Show SMILES Clc1cc2C[C@H](NC(=O)c3ccccc3CC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|
Show InChI InChI=1S/C25H24ClN3O3/c26-20-14-17-9-10-22(20)32-13-5-1-2-6-18-7-3-4-8-19(18)23(30)28-21(15-17)24(31)29-25(16-27)11-12-25/h1,3-5,7-10,14,21H,2,6,11-13,15H2,(H,28,30)(H,29,31)/b5-1+/t21-/m0/s1
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n/an/a 9.60n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210868
PNG
(US9290467, 38)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(Br)ccc3NC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:19|
Show InChI InChI=1S/C24H22BrClN4O3/c25-16-4-5-19-17(13-16)22(31)29-20(23(32)30-24(14-27)7-8-24)12-15-3-6-21(18(26)11-15)33-10-2-1-9-28-19/h1-6,11,13,20,28H,7-10,12H2,(H,29,31)(H,30,32)/b2-1+/t20-/m0/s1
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n/an/a 10n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210839
PNG
(US9290467, 9)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(Br)ccc3OCCCCOc1cc2)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H23BrClN3O4/c25-16-4-6-20-17(13-16)22(30)28-19(23(31)29-24(14-27)7-8-24)12-15-3-5-21(18(26)11-15)33-10-2-1-9-32-20/h3-6,11,13,19H,1-2,7-10,12H2,(H,28,30)(H,29,31)/t19-/m0/s1
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n/an/a 10n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210840
PNG
(US9290467, 10)
Show SMILES Clc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:7|
Show InChI InChI=1S/C24H21Cl2N3O4/c25-16-4-6-20-17(13-16)22(30)28-19(23(31)29-24(14-27)7-8-24)12-15-3-5-21(18(26)11-15)33-10-2-1-9-32-20/h1-6,11,13,19H,7-10,12H2,(H,28,30)(H,29,31)/b2-1+/t19-/m0/s1
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n/an/a 10.3n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210847
PNG
(US9290467, 17)
Show SMILES COc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C25H26ClN3O5/c1-32-17-5-7-21-18(14-17)23(30)28-20(24(31)29-25(15-27)8-9-25)13-16-4-6-22(19(26)12-16)34-11-3-2-10-33-21/h4-7,12,14,20H,2-3,8-11,13H2,1H3,(H,28,30)(H,29,31)/t20-/m0/s1
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n/an/a 10.4n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210858
PNG
(US9290467, 28)
Show SMILES Clc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3I |r,t:7|
Show InChI InChI=1S/C24H21ClIN3O4/c25-16-4-6-20-17(13-16)22(30)28-19(23(31)29-24(14-27)7-8-24)12-15-3-5-21(18(26)11-15)33-10-2-1-9-32-20/h1-6,11,13,19H,7-10,12H2,(H,28,30)(H,29,31)/b2-1+/t19-/m0/s1
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HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210846
PNG
(US9290467, 16)
Show SMILES COc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:8|
Show InChI InChI=1S/C25H24ClN3O5/c1-32-17-5-7-21-18(14-17)23(30)28-20(24(31)29-25(15-27)8-9-25)13-16-4-6-22(19(26)12-16)34-11-3-2-10-33-21/h2-7,12,14,20H,8-11,13H2,1H3,(H,28,30)(H,29,31)/b3-2+/t20-/m0/s1
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HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210841
PNG
(US9290467, 11)
Show SMILES Clc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O4/c25-16-4-6-20-17(13-16)22(30)28-19(23(31)29-24(14-27)7-8-24)12-15-3-5-21(18(26)11-15)33-10-2-1-9-32-20/h3-6,11,13,19H,1-2,7-10,12H2,(H,28,30)(H,29,31)/t19-/m0/s1
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n/an/a 11.6n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210861
PNG
(US9290467, 31)
Show SMILES Clc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3I |r|
Show InChI InChI=1S/C24H23ClIN3O4/c25-16-4-6-20-17(13-16)22(30)28-19(23(31)29-24(14-27)7-8-24)12-15-3-5-21(18(26)11-15)33-10-2-1-9-32-20/h3-6,11,13,19H,1-2,7-10,12H2,(H,28,30)(H,29,31)/t19-/m0/s1
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HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210859
PNG
(US9290467, 29)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4CCCCc4cc3OCCCCOc1cc2)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C28H30ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h7-8,13,15-16,23H,1-6,9-12,14H2,(H,31,33)(H,32,34)/t23-/m0/s1
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n/an/a 13n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210880
PNG
(US9290467, 50)
Show SMILES Fc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1F)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C24H22ClF2N3O4/c25-15-11-14-3-5-18(15)33-9-1-2-10-34-19-6-4-16(26)21(27)20(19)23(32)29-17(12-14)22(31)30-24(13-28)7-8-24/h3-6,11,17H,1-2,7-10,12H2,(H,29,32)(H,30,31)/t17-/m0/s1
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n/an/a 13.5n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210834
PNG
(US9290467, 4)
Show SMILES Clc1cc2C[C@H](NC(=O)c3ccccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|
Show InChI InChI=1S/C24H22ClN3O4/c25-18-13-16-7-8-21(18)32-12-4-3-11-31-20-6-2-1-5-17(20)22(29)27-19(14-16)23(30)28-24(15-26)9-10-24/h1-8,13,19H,9-12,14H2,(H,27,29)(H,28,30)/b4-3+/t19-/m0/s1
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n/an/a 13.8n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Procathepsin L


(Homo sapiens (Human))		BDBM210857
PNG
(US9290467, 27)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4CCCCc4cc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:23|
Show InChI InChI=1S/C28H28ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h3-4,7-8,13,15-16,23H,1-2,5-6,9-12,14H2,(H,31,33)(H,32,34)/b4-3+/t23-/m0/s1
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n/an/a 16n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210862
PNG
(US9290467, 32)
Show SMILES Fc1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:7|
Show InChI InChI=1S/C24H21ClFN3O4/c25-18-11-15-3-5-21(18)33-10-2-1-9-32-20-6-4-16(26)13-17(20)22(30)28-19(12-15)23(31)29-24(14-27)7-8-24/h1-6,11,13,19H,7-10,12H2,(H,28,30)(H,29,31)/b2-1+/t19-/m0/s1
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HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210879
PNG
(US9290467, 49)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(ccc3OCCCCOc1cc2)C#N)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H23ClN4O4/c26-19-12-16-3-6-22(19)34-10-2-1-9-33-21-5-4-17(14-27)11-18(21)23(31)29-20(13-16)24(32)30-25(15-28)7-8-25/h3-6,11-12,20H,1-2,7-10,13H2,(H,29,31)(H,30,32)/t20-/m0/s1
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n/an/a 18.3n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210865
PNG
(US9290467, 35)
Show SMILES Fc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C24H23ClFN3O4/c25-18-11-15-3-5-21(18)33-10-2-1-9-32-20-6-4-16(26)13-17(20)22(30)28-19(12-15)23(31)29-24(14-27)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,28,30)(H,29,31)/t19-/m0/s1
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n/an/a 23n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210838
PNG
(US9290467, 8)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(Br)ccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:19|
Show InChI InChI=1S/C24H21BrClN3O4/c25-16-4-6-20-17(13-16)22(30)28-19(23(31)29-24(14-27)7-8-24)12-15-3-5-21(18(26)11-15)33-10-2-1-9-32-20/h1-6,11,13,19H,7-10,12H2,(H,28,30)(H,29,31)/b2-1+/t19-/m0/s1
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n/an/a 24.8n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210872
PNG
(US9290467, 42)
Show SMILES CC(C)(C)OC(=O)N1CC(C1)c1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r|
Show InChI InChI=1S/C32H37ClN4O6/c1-31(2,3)43-30(40)37-17-22(18-37)21-7-9-26-23(16-21)28(38)35-25(29(39)36-32(19-34)10-11-32)15-20-6-8-27(24(33)14-20)42-13-5-4-12-41-26/h6-9,14,16,22,25H,4-5,10-13,15,17-18H2,1-3H3,(H,35,38)(H,36,39)/t25-/m0/s1
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n/an/a 25.5n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210849
PNG
(US9290467, 19)
Show SMILES Cc1ccc2c(SC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)n1 |r,t:8|
Show InChI InChI=1S/C24H23ClN4O3S/c1-15-4-6-17-21(30)28-19(22(31)29-24(14-26)8-9-24)13-16-5-7-20(18(25)12-16)32-10-2-3-11-33-23(17)27-15/h2-7,12,19H,8-11,13H2,1H3,(H,28,30)(H,29,31)/b3-2+/t19-/m0/s1
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HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210869
PNG
(US9290467, 39)
Show SMILES CC(C)(C)OC(=O)N1CC(C1)c1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:18|
Show InChI InChI=1S/C32H35ClN4O6/c1-31(2,3)43-30(40)37-17-22(18-37)21-7-9-26-23(16-21)28(38)35-25(29(39)36-32(19-34)10-11-32)15-20-6-8-27(24(33)14-20)42-13-5-4-12-41-26/h4-9,14,16,22,25H,10-13,15,17-18H2,1-3H3,(H,35,38)(H,36,39)/b5-4+/t25-/m0/s1
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HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210836
PNG
(US9290467, 6)
Show SMILES Clc1cc2C[C@H](NC(=O)c3cccc(OC\C=C\COc1cc2)c3)C(=O)NC1(CC1)C#N |r,t:16|
Show InChI InChI=1S/C24H22ClN3O4/c25-19-12-16-6-7-21(19)32-11-2-1-10-31-18-5-3-4-17(14-18)22(29)27-20(13-16)23(30)28-24(15-26)8-9-24/h1-7,12,14,20H,8-11,13H2,(H,27,29)(H,28,30)/b2-1+/t20-/m0/s1
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HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210850
PNG
(US9290467, 20)
Show SMILES FC(F)(F)c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:11|
Show InChI InChI=1S/C25H21ClF3N3O4/c26-18-11-15-3-6-20(18)35-9-1-2-10-36-21-13-16(25(27,28)29)4-5-17(21)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h1-6,11,13,19H,7-10,12H2,(H,31,33)(H,32,34)/b2-1+/t19-/m0/s1
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n/an/a 47.7n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210866
PNG
(US9290467, 36)
Show SMILES Clc1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r|
Show InChI InChI=1S/C24H23Cl2N3O4/c25-16-4-5-17-21(13-16)33-10-2-1-9-32-20-6-3-15(11-18(20)26)12-19(28-22(17)30)23(31)29-24(14-27)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,28,30)(H,29,31)/t19-/m0/s1
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HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210853
PNG
(US9290467, 23)
Show SMILES FC(F)(F)c1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r|
Show InChI InChI=1S/C25H23ClF3N3O4/c26-18-11-15-3-6-20(18)35-9-1-2-10-36-21-13-16(25(27,28)29)4-5-17(21)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,31,33)(H,32,34)/t19-/m0/s1
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HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210876
PNG
(US9290467, 46)
Show SMILES Fc1ccc2OC\C=C/COc3ccc(C[C@H](NC(=O)c2c1F)C(=O)NC1(CC1)C#N)cc3Cl |r,c:7|
Show InChI InChI=1S/C24H20ClF2N3O4/c25-15-11-14-3-5-18(15)33-9-1-2-10-34-19-6-4-16(26)21(27)20(19)23(32)29-17(12-14)22(31)30-24(13-28)7-8-24/h1-6,11,17H,7-10,12H2,(H,29,32)(H,30,31)/b2-1-/t17-/m0/s1
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HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210851
PNG
(US9290467, 21)
Show SMILES Clc1cc2C[C@H](NC(=O)c3ccccc3NC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|
Show InChI InChI=1S/C24H23ClN4O3/c25-18-13-16-7-8-21(18)32-12-4-3-11-27-19-6-2-1-5-17(19)22(30)28-20(14-16)23(31)29-24(15-26)9-10-24/h1-8,13,20,27H,9-12,14H2,(H,28,30)(H,29,31)/b4-3+/t20-/m0/s1
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HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210848
PNG
(US9290467, 18)
Show SMILES COc1ccc2c(CC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:9|
Show InChI InChI=1S/C26H26ClN3O4/c1-33-19-7-8-20-18(15-19)5-3-2-4-12-34-23-9-6-17(13-21(23)27)14-22(29-24(20)31)25(32)30-26(16-28)10-11-26/h2,4,6-9,13,15,22H,3,5,10-12,14H2,1H3,(H,29,31)(H,30,32)/b4-2+/t22-/m0/s1
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HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210863
PNG
(US9290467, 33)
Show SMILES Clc1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:8|
Show InChI InChI=1S/C24H21Cl2N3O4/c25-16-4-5-17-21(13-16)33-10-2-1-9-32-20-6-3-15(11-18(20)26)12-19(28-22(17)30)23(31)29-24(14-27)7-8-24/h1-6,11,13,19H,7-10,12H2,(H,28,30)(H,29,31)/b2-1+/t19-/m0/s1
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n/an/a 73n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210833
PNG
(US9290467, 3)
Show SMILES O=C(NC1(CC1)C#N)[C@@H]1Cc2ccc(OC\C=C\CCc3ccccc3C(=O)N1)cc2 |r,t:17|
Show InChI InChI=1S/C25H25N3O3/c26-17-25(13-14-25)28-24(30)22-16-18-9-11-20(12-10-18)31-15-5-1-2-6-19-7-3-4-8-21(19)23(29)27-22/h1,3-5,7-12,22H,2,6,13-16H2,(H,27,29)(H,28,30)/b5-1+/t22-/m0/s1
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n/an/a 77n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210831
PNG
(US9290467, 1)
Show SMILES O=C(NC1(CC1)C#N)[C@@H]1Cc2ccc(OC\C=C\COc3ccccc3C(=O)N1)cc2 |r,t:17|
Show InChI InChI=1S/C24H23N3O4/c25-16-24(11-12-24)27-23(29)20-15-17-7-9-18(10-8-17)30-13-3-4-14-31-21-6-2-1-5-19(21)22(28)26-20/h1-10,20H,11-15H2,(H,26,28)(H,27,29)/b4-3+/t20-/m0/s1
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n/an/a 88.5n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210837
PNG
(US9290467, 7)
Show SMILES Clc1cc2C[C@H](NC(=O)c3ccccc3OCCCCOc1cc2)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H24ClN3O4/c25-18-13-16-7-8-21(18)32-12-4-3-11-31-20-6-2-1-5-17(20)22(29)27-19(14-16)23(30)28-24(15-26)9-10-24/h1-2,5-8,13,19H,3-4,9-12,14H2,(H,27,29)(H,28,30)/t19-/m0/s1
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n/an/a 96.2n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210852
PNG
(US9290467, 22)
Show SMILES COc1ccc2c(CCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r|
Show InChI InChI=1S/C26H28ClN3O4/c1-33-19-7-8-20-18(15-19)5-3-2-4-12-34-23-9-6-17(13-21(23)27)14-22(29-24(20)31)25(32)30-26(16-28)10-11-26/h6-9,13,15,22H,2-5,10-12,14H2,1H3,(H,29,31)(H,30,32)/t22-/m0/s1
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n/an/a 118n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210878
PNG
(US9290467, 48)
Show SMILES Fc1cc(Cl)c2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:8|
Show InChI InChI=1S/C24H20Cl2FN3O4/c25-17-9-14-3-4-20(17)33-7-1-2-8-34-21-16(11-15(27)12-18(21)26)22(31)29-19(10-14)23(32)30-24(13-28)5-6-24/h1-4,9,11-12,19H,5-8,10H2,(H,29,31)(H,30,32)/b2-1+/t19-/m0/s1
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n/an/a 139n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210854
PNG
(US9290467, 24 | US9290467, 25 | US9290467, 26)
Show SMILES Ic1cc2C[C@H](NC(=O)c3ccccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|
Show InChI InChI=1S/C24H22IN3O4/c25-18-13-16-7-8-21(18)32-12-4-3-11-31-20-6-2-1-5-17(20)22(29)27-19(14-16)23(30)28-24(15-26)9-10-24/h1-8,13,19H,9-12,14H2,(H,27,29)(H,28,30)/b4-3+/t19-/m0/s1
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n/an/a 139n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210854
PNG
(US9290467, 24 | US9290467, 25 | US9290467, 26)
Show SMILES Ic1cc2C[C@H](NC(=O)c3ccccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|
Show InChI InChI=1S/C24H22IN3O4/c25-18-13-16-7-8-21(18)32-12-4-3-11-31-20-6-2-1-5-17(20)22(29)27-19(14-16)23(30)28-24(15-26)9-10-24/h1-8,13,19H,9-12,14H2,(H,27,29)(H,28,30)/b4-3+/t19-/m0/s1
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n/an/a 164n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210845
PNG
(US9290467, 15)
Show SMILES CC1(C)CC2N(C1)CC\C=C\COc1ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc1Cl |r,t:10|
Show InChI InChI=1S/C25H31ClN4O3/c1-24(2)14-20-23(32)28-19(22(31)29-25(15-27)8-9-25)13-17-6-7-21(18(26)12-17)33-11-5-3-4-10-30(20)16-24/h3,5-7,12,19-20H,4,8-11,13-14,16H2,1-2H3,(H,28,32)(H,29,31)/b5-3+/t19-,20?/m0/s1
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n/an/a 168n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210860
PNG
(US9290467, 30)
Show SMILES Ic1cc2C[C@H](NC(=O)c3ccccc3OCCCCOc1cc2)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H24IN3O4/c25-18-13-16-7-8-21(18)32-12-4-3-11-31-20-6-2-1-5-17(20)22(29)27-19(14-16)23(30)28-24(15-26)9-10-24/h1-2,5-8,13,19H,3-4,9-12,14H2,(H,27,29)(H,28,30)/t19-/m0/s1
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n/an/a 181n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210832
PNG
(US9290467, 2)
Show SMILES O=C(NC1(CC1)C#N)[C@@H]1Cc2ccc(OC\C=C\COc3cccc(c3)C(=O)N1)cc2 |r,t:17|
Show InChI InChI=1S/C24H23N3O4/c25-16-24(10-11-24)27-23(29)21-14-17-6-8-19(9-7-17)30-12-1-2-13-31-20-5-3-4-18(15-20)22(28)26-21/h1-9,15,21H,10-14H2,(H,26,28)(H,27,29)/b2-1+/t21-/m0/s1
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n/an/a 230n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210854
PNG
(US9290467, 24 | US9290467, 25 | US9290467, 26)
Show SMILES Ic1cc2C[C@H](NC(=O)c3ccccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|
Show InChI InChI=1S/C24H22IN3O4/c25-18-13-16-7-8-21(18)32-12-4-3-11-31-20-6-2-1-5-17(20)22(29)27-19(14-16)23(30)28-24(15-26)9-10-24/h1-8,13,19H,9-12,14H2,(H,27,29)(H,28,30)/b4-3+/t19-/m0/s1
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n/an/a 236n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210842
PNG
(US9290467, 12)
Show SMILES Clc1cc2C[C@H](NC(=O)C3CCCN3CC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:17|
Show InChI InChI=1S/C23H27ClN4O3/c24-17-13-16-6-7-20(17)31-12-3-1-2-10-28-11-4-5-19(28)22(30)26-18(14-16)21(29)27-23(15-25)8-9-23/h1,3,6-7,13,18-19H,2,4-5,8-12,14H2,(H,26,30)(H,27,29)/b3-1+/t18-,19?/m0/s1
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n/an/a 878n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210843
PNG
(US9290467, 13)
Show SMILES F[C@H]1CC2N(C1)CC\C=C\COc1ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc1Cl |r,t:9|
Show InChI InChI=1S/C23H26ClFN4O3/c24-17-10-15-4-5-20(17)32-9-3-1-2-8-29-13-16(25)12-19(29)22(31)27-18(11-15)21(30)28-23(14-26)6-7-23/h1,3-5,10,16,18-19H,2,6-9,11-13H2,(H,27,31)(H,28,30)/b3-1+/t16-,18-,19?/m0/s1
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n/an/a 948n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM210844
PNG
(US9290467, 14)
Show SMILES FC1(F)CC2N(C1)CC\C=C\COc1ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc1Cl |r,t:10|
Show InChI InChI=1S/C23H25ClF2N4O3/c24-16-10-15-4-5-19(16)33-9-3-1-2-8-30-14-23(25,26)12-18(30)21(32)28-17(11-15)20(31)29-22(13-27)6-7-22/h1,3-5,10,17-18H,2,6-9,11-12,14H2,(H,28,32)(H,29,31)/b3-1+/t17-,18?/m0/s1
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n/an/a 6.06E+3n/an/an/an/a6.5n/a



HOFFMANN—LA ROCHE INC.

US Patent


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

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%