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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with Target = 'Cathepsin F'   
Target
(Institution)
LigandTarget
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 F


(Homo sapiens)
BDBM50214542
PNG
((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...)
Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C30H32F3N3O3S/c1-20(2)17-27(29(37)35-25(19-34)18-21-7-5-4-6-8-21)36-28(30(31,32)33)24-11-9-22(10-12-24)23-13-15-26(16-14-23)40(3,38)39/h4-16,20,25,27-28,36H,17-18H2,1-3H3,(H,35,37)/t25-,27-,28-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331787
PNG
((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N
Show InChI InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-5-4-19(17-37)14-26(23)32)40-28(31(34,35)36)22-8-6-20(7-9-22)21-10-12-25(13-11-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24-,27-,28-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331776
PNG
((S)-4,4-dichloro-N-((S)-1-cyano-2-phenylethyl)-2-(...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F
Show InChI InChI=1S/C28H26Cl2F3N3O3S/c1-40(38,39)23-13-11-20(12-14-23)19-7-9-21(10-8-19)26(28(31,32)33)36-24(16-25(29)30)27(37)35-22(17-34)15-18-5-3-2-4-6-18/h2-14,22,24-26,36H,15-16H2,1H3,(H,35,37)/t22-,24-,26-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331786
PNG
((S)-N-((S)-1-cyano-2-(pyridin-4-yl)ethyl)-4-fluoro...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccncc1)C#N
Show InChI InChI=1S/C29H30F4N4O3S/c1-28(2,30)17-25(27(38)36-23(18-34)16-19-12-14-35-15-13-19)37-26(29(31,32)33)22-6-4-20(5-7-22)21-8-10-24(11-9-21)41(3,39)40/h4-15,23,25-26,37H,16-17H2,1-3H3,(H,36,38)/t23-,25-,26-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331767
PNG
(1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-(4-cyano-2-fluo...)
Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N
Show InChI InChI=1S/C33H31F4N5O2/c1-19(2)28(30(43)41-26(18-39)16-24-4-3-20(17-38)15-27(24)34)42-29(33(35,36)37)23-7-5-21(6-8-23)22-9-11-25(12-10-22)32(13-14-32)31(40)44/h3-12,15,19,26,28-29,42H,13-14,16H2,1-2H3,(H2,40,44)(H,41,43)/t26-,28-,29-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331771
PNG
((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)N1CCOCC1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C37H40F4N4O3/c1-35(2,38)23-31(33(46)43-30(24-42)22-25-6-4-3-5-7-25)44-32(37(39,40)41)28-10-8-26(9-11-28)27-12-14-29(15-13-27)36(16-17-36)34(47)45-18-20-48-21-19-45/h3-15,30-32,44H,16-23H2,1-2H3,(H,43,46)/t30-,31-,32-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331769
PNG
((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N
Show InChI InChI=1S/C30H28F4N4O3S/c1-18(2)27(29(39)37-24(17-36)15-23-5-4-19(16-35)14-26(23)31)38-28(30(32,33)34)22-8-6-20(7-9-22)21-10-12-25(13-11-21)42(3,40)41/h4-14,18,24,27-28,38H,15H2,1-3H3,(H,37,39)/t24-,27-,28-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331774
PNG
((S)-2-((S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2,2,2-tri...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1cn[nH]c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C26H27F4N5O/c1-25(2,27)13-22(24(36)34-21(14-31)12-17-6-4-3-5-7-17)35-23(26(28,29)30)19-10-8-18(9-11-19)20-15-32-33-16-20/h3-11,15-16,21-23,35H,12-13H2,1-2H3,(H,32,33)(H,34,36)/t21-,22-,23-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331770
PNG
(1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-phenylethylamin...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C33H34F4N4O2/c1-31(2,34)19-27(29(42)40-26(20-38)18-21-6-4-3-5-7-21)41-28(33(35,36)37)24-10-8-22(9-11-24)23-12-14-25(15-13-23)32(16-17-32)30(39)43/h3-15,26-28,41H,16-19H2,1-2H3,(H2,39,43)(H,40,42)/t26-,27-,28-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331773
PNG
((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C34H32F4N4O/c1-33(2,35)21-30(32(43)41-29(22-39)20-23-6-4-3-5-7-23)42-31(34(36,37)38)28-14-12-25(13-15-28)24-8-10-26(11-9-24)27-16-18-40-19-17-27/h3-19,29-31,42H,20-21H2,1-2H3,(H,41,43)/t29-,30-,31-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331768
PNG
((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N
Show InChI InChI=1S/C31H28F6N4O2/c1-17(2)26(30(43)40-24(16-39)14-23-4-3-18(15-38)13-25(23)32)41-28(31(35,36)37)22-11-7-20(8-12-22)19-5-9-21(10-6-19)27(42)29(33)34/h3-13,17,24,26-29,41-42H,14H2,1-2H3,(H,40,43)/t24-,26-,27+,28-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331772
PNG
((S)-N-((S)-1-cyano-2-phenylethyl)-2-((S)-1-(4'-((R...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C31H31F6N3O2/c1-30(2,34)17-25(29(42)39-24(18-38)16-19-6-4-3-5-7-19)40-27(31(35,36)37)23-14-10-21(11-15-23)20-8-12-22(13-9-20)26(41)28(32)33/h3-15,24-28,40-41H,16-17H2,1-2H3,(H,39,42)/t24-,25-,26+,27-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331781
PNG
((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C30H31F4N3O3S/c1-29(2,31)18-26(28(38)36-24(19-35)17-20-7-5-4-6-8-20)37-27(30(32,33)34)23-11-9-21(10-12-23)22-13-15-25(16-14-22)41(3,39)40/h4-16,24,26-27,37H,17-18H2,1-3H3,(H,36,38)/t24-,26-,27-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331788
PNG
((S)-N-((R)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@H](Cc1ccc(cc1F)C#N)C#N
Show InChI InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-5-4-19(17-37)14-26(23)32)40-28(31(34,35)36)22-8-6-20(7-9-22)21-10-12-25(13-11-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24-,27+,28+/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331779
PNG
((S)-N-((S)-1-cyano-2-phenylethyl)-2-cyclopropyl-2-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](C1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F
Show InChI InChI=1S/C29H28F3N3O3S/c1-39(37,38)25-15-13-21(14-16-25)20-7-11-23(12-8-20)27(29(30,31)32)35-26(22-9-10-22)28(36)34-24(18-33)17-19-5-3-2-4-6-19/h2-8,11-16,22,24,26-27,35H,9-10,17H2,1H3,(H,34,36)/t24-,26-,27-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331775
PNG
((S)-N-((S)-1-cyano-2-phenylethyl)-3-cyclopropyl-2-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H30F3N3O3S/c1-40(38,39)26-15-13-23(14-16-26)22-9-11-24(12-10-22)28(30(31,32)33)36-27(18-21-7-8-21)29(37)35-25(19-34)17-20-5-3-2-4-6-20/h2-6,9-16,21,25,27-28,36H,7-8,17-18H2,1H3,(H,35,37)/t25-,27-,28-/m0/s1
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n/an/a 147n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331778
PNG
((S)-N-((S)-1-cyano-2-phenylethyl)-3-methyl-2-((S)-...)
Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C29H30F3N3O3S/c1-19(2)26(28(36)34-24(18-33)17-20-7-5-4-6-8-20)35-27(29(30,31)32)23-11-9-21(10-12-23)22-13-15-25(16-14-22)39(3,37)38/h4-16,19,24,26-27,35H,17H2,1-3H3,(H,34,36)/t24-,26-,27-/m0/s1
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n/an/a 174n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50201701
PNG
(CHEMBL390474 | cis-4-(2,3-dimethylphenoxy)-6-oxa-1...)
Show SMILES Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C
Show InChI InChI=1S/C14H17NO3/c1-9-4-3-5-11(10(9)2)17-12-6-7-15-8-13(12)18-14(15)16/h3-5,12-13H,6-8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 331n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F


Bioorg Med Chem Lett 17: 1254-9 (2007)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50201700
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octan-...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-12-13-7-6-10(11(8-13)16-12)15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a 487n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F


Bioorg Med Chem Lett 17: 1254-9 (2007)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331782
PNG
((S)-N-(cyanomethyl)-4-fluoro-4-methyl-2-((S)-2,2,2...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N
Show InChI InChI=1S/C23H25F4N3O3S/c1-22(2,24)14-19(21(31)29-13-12-28)30-20(23(25,26)27)17-6-4-15(5-7-17)16-8-10-18(11-9-16)34(3,32)33/h4-11,19-20,30H,13-14H2,1-3H3,(H,29,31)/t19-,20-/m0/s1
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n/an/a 547n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331783
PNG
((S)-N-((S)-1-cyano-3,3,3-trifluoropropyl)-4-fluoro...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CC(F)(F)F)C#N
Show InChI InChI=1S/C25H26F7N3O3S/c1-23(2,26)13-20(22(36)34-18(14-33)12-24(27,28)29)35-21(25(30,31)32)17-6-4-15(5-7-17)16-8-10-19(11-9-16)39(3,37)38/h4-11,18,20-21,35H,12-13H2,1-3H3,(H,34,36)/t18-,20-,21-/m0/s1
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n/an/a 654n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331777
PNG
((S)-N-((S)-1-cyano-2-phenylethyl)-3-phenyl-2-((S)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F
Show InChI InChI=1S/C33H30F3N3O3S/c1-43(41,42)29-18-16-26(17-19-29)25-12-14-27(15-13-25)31(33(34,35)36)39-30(21-24-10-6-3-7-11-24)32(40)38-28(22-37)20-23-8-4-2-5-9-23/h2-19,28,30-31,39H,20-21H2,1H3,(H,38,40)/t28-,30-,31-/m0/s1
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n/an/a 769n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50255753
PNG
(CHEMBL481611 | MK-0822 | Odanacatib)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1
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n/an/a 795n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin F


Bioorg Med Chem Lett 18: 923-8 (2008)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM12311
PNG
((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin F


Antimicrob Agents Chemother 54: 305-11 (2009)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50201699
PNG
((1R,2S)-2-isobutoxy-7-oxa-5-aza-bicyclo[3.2.1]octa...)
Show SMILES CC(C)CO[C@H]1CCN2C[C@H]1OC2=O
Show InChI InChI=1S/C10H17NO3/c1-7(2)6-13-8-3-4-11-5-9(8)14-10(11)12/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1
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n/an/a 1.83E+3n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F


Bioorg Med Chem Lett 17: 1254-9 (2007)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331784
PNG
((S)-N-((S)-1-cyano-3-phenylpropyl)-4-fluoro-4-meth...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C#N
Show InChI InChI=1S/C31H33F4N3O3S/c1-30(2,32)19-27(29(39)37-25(20-36)16-9-21-7-5-4-6-8-21)38-28(31(33,34)35)24-12-10-22(11-13-24)23-14-17-26(18-15-23)42(3,40)41/h4-8,10-15,17-18,25,27-28,38H,9,16,19H2,1-3H3,(H,37,39)/t25-,27-,28-/m0/s1
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n/an/a 3.24E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50201705
PNG
((1R,2S)-2-(benzyloxy)-7-oxa-5-aza-bicyclo[3.2.1]oc...)
Show SMILES O=C1O[C@@H]2CN1CC[C@@H]2OCc1ccccc1
Show InChI InChI=1S/C13H15NO3/c15-13-14-7-6-11(12(8-14)17-13)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12+/m0/s1
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n/an/a 3.76E+3n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F


Bioorg Med Chem Lett 17: 1254-9 (2007)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50201698
PNG
(CHEMBL230473 | rac-trans4-(2,3-dimethylphenoxy)-6-...)
Show SMILES Cc1cccc(O[C@H]2CCN3C[C@@H]2OC3=O)c1C
Show InChI InChI=1S/C14H17NO3/c1-9-4-3-5-11(10(9)2)17-12-6-7-15-8-13(12)18-14(15)16/h3-5,12-13H,6-8H2,1-2H3/t12-,13-/m0/s1
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n/an/a 5.91E+3n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F


Bioorg Med Chem Lett 17: 1254-9 (2007)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50326055
PNG
((1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopr...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)OCC(C)(C)CCCCc2cccc3CN(Cc23)C(=O)O[C@@H]2C[C@H](N(C2)C1=O)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C38H53N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h7,10,12-13,25-27,29-30H,1,8-9,11,14-22H2,2-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin F


Antimicrob Agents Chemother 54: 305-11 (2009)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331785
PNG
((S)-N-((S)-cyano(1-phenylcyclopropyl)methyl)-4-flu...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@H](C#N)C1(CC1)c1ccccc1
Show InChI InChI=1S/C32H33F4N3O3S/c1-30(2,33)19-26(29(40)39-27(20-37)31(17-18-31)24-7-5-4-6-8-24)38-28(32(34,35)36)23-11-9-21(10-12-23)22-13-15-25(16-14-22)43(3,41)42/h4-16,26-28,38H,17-19H2,1-3H3,(H,39,40)/t26-,27+,28-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50201703
PNG
((1S,2S)-2-bromo-7-oxa-5-aza-bicyclo[3.2.1]octan-6-...)
Show SMILES Br[C@H]1CCN2C[C@@H]1OC2=O
Show InChI InChI=1S/C6H8BrNO2/c7-4-1-2-8-3-5(4)10-6(8)9/h4-5H,1-3H2/t4-,5-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F


Bioorg Med Chem Lett 17: 1254-9 (2007)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50331780
PNG
((S)-N-((S)-1-cyano-2-phenylethyl)-3,3-dimethyl-2-(...)
Show SMILES CC(C)(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N
Show InChI InChI=1S/C30H32F3N3O3S/c1-29(2,3)27(28(37)35-24(19-34)18-20-8-6-5-7-9-20)36-26(30(31,32)33)23-12-10-21(11-13-23)22-14-16-25(17-15-22)40(4,38)39/h5-17,24,26-27,36H,18H2,1-4H3,(H,35,37)/t24-,26-,27+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat F expressed in rabbit HIG82 cells


Bioorg Med Chem Lett 20: 7444-9 (2010)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50201702
PNG
((1R,2S)-2-phenoxy-7-oxa-5-aza-bicyclo[3.2.1]octane...)
Show SMILES S=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1
Show InChI InChI=1S/C12H13NO2S/c16-12-13-7-6-10(11(8-13)15-12)14-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F


Bioorg Med Chem Lett 17: 1254-9 (2007)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50326056
PNG
((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin F


Antimicrob Agents Chemother 54: 305-11 (2009)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50201706
PNG
((3R,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol | CH...)
Show SMILES Cc1cccc(O[C@@H]2CCNC[C@H]2O)c1C
Show InChI InChI=1S/C13H19NO2/c1-9-4-3-5-12(10(9)2)16-13-6-7-14-8-11(13)15/h3-5,11,13-15H,6-8H2,1-2H3/t11-,13-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F


Bioorg Med Chem Lett 17: 1254-9 (2007)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50201707
PNG
(5-((2,3-dimethylphenoxy)methyl)-3-methyloxazolidin...)
Show SMILES CN1CC(COc2cccc(C)c2C)OC1=O
Show InChI InChI=1S/C13H17NO3/c1-9-5-4-6-12(10(9)2)16-8-11-7-14(3)13(15)17-11/h4-6,11H,7-8H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F


Bioorg Med Chem Lett 17: 1254-9 (2007)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50201704
PNG
((3S,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol | CH...)
Show SMILES Cc1cccc(O[C@@H]2CCNC[C@@H]2O)c1C
Show InChI InChI=1S/C13H19NO2/c1-9-4-3-5-12(10(9)2)16-13-6-7-14-8-11(13)15/h3-5,11,13-15H,6-8H2,1-2H3/t11-,13+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F


Bioorg Med Chem Lett 17: 1254-9 (2007)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50392215
PNG
(CHEMBL2153161)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50392206
PNG
(CHEMBL2153169)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-13(17(22)20-8-7-19)21-18(23)16-6-5-15(27-16)14-4-3-9-26-14/h3-6,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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3.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50392213
PNG
(CHEMBL2153166)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccsc1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-14(17(22)20-7-6-19)21-18(23)16-4-3-15(27-16)13-5-8-26-9-13/h3-5,8-9,12,14H,7,10-11H2,1-2H3,(H,20,22)(H,21,23)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50392212
PNG
(CHEMBL2153165)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc(cs1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(19(24)22-9-8-21)23-20(25)18-10-16(11-28-18)15-6-4-3-5-7-15/h3-7,10-11,14,17H,9,12-13H2,1-2H3,(H,22,24)(H,23,25)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50392211
PNG
(CHEMBL2153164)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-16(19(24)22-11-10-21)23-20(25)18-9-8-17(28-18)15-6-4-3-5-7-15/h3-9,14,16H,11-13H2,1-2H3,(H,22,24)(H,23,25)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50392214
PNG
(CHEMBL2153167)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N
Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50392208
PNG
(CHEMBL2153171)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccsc2s1)C(=O)NCC#N
Show InChI InChI=1S/C16H19N3O4S3/c1-10(2)8-26(22,23)9-12(14(20)18-5-4-17)19-15(21)13-7-11-3-6-24-16(11)25-13/h3,6-7,10,12H,5,8-9H2,1-2H3,(H,18,20)(H,19,21)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50392207
PNG
(CHEMBL2153170)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cc2ccccc2s1)C(=O)NCC#N
Show InChI InChI=1S/C18H21N3O4S2/c1-12(2)10-27(24,25)11-14(17(22)20-8-7-19)21-18(23)16-9-13-5-3-4-6-15(13)26-16/h3-6,9,12,14H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50392205
PNG
(CHEMBL2153168)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(20(25)22-10-9-21)23-19(24)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11,14,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,24)
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50392209
PNG
(CHEMBL2153172)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C16H21N3O4S/c1-12(2)10-24(22,23)11-14(16(21)18-9-8-17)19-15(20)13-6-4-3-5-7-13/h3-7,12,14H,9-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50392209
PNG
(CHEMBL2153172)
Show SMILES CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C16H21N3O4S/c1-12(2)10-24(22,23)11-14(16(21)18-9-8-17)19-15(20)13-6-4-3-5-7-13/h3-7,12,14H,9-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)

More data for this
Ligand-Target Pair
Cathepsin F


(Homo sapiens)
BDBM50392210
PNG
(CHEMBL2153163)
Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1cccs1)C(=O)NCC#N
Show InChI InChI=1S/C14H19N3O4S2/c1-10(2)8-23(20,21)9-11(13(18)16-6-5-15)17-14(19)12-4-3-7-22-12/h3-4,7,10-11H,6,8-9H2,1-2H3,(H,16,18)(H,17,19)
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis


J Med Chem 55: 5982-6 (2012)

More data for this
Ligand-Target Pair