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PubMed code 16876407

Compile data set for download or QSAR
Found 52 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))
BDBM19682
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O5/c1-18(2)22(17-30-20-8-10-21(11-9-20)37-26(27,28)29)31-25(34)36-23(16-19-6-4-3-5-7-19)24(33)32-12-14-35-15-13-32/h8-11,18-19,22-23,30H,3-7,12-17H2,1-2H3,(H,31,34)/t22-,23+/m1/s1
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PubMed
8 -48.1n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19679
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES Fc1ccc2N(C[C@H](COCc3ccccc3)NC(=O)O[C@@H](CC3CCCCC3)C(=O)N3CCOCC3)CCc2c1
Show InChI InChI=1S/C32H42FN3O5/c33-27-11-12-29-26(20-27)13-14-36(29)21-28(23-40-22-25-9-5-2-6-10-25)34-32(38)41-30(19-24-7-3-1-4-8-24)31(37)35-15-17-39-18-16-35/h2,5-6,9-12,20,24,28,30H,1,3-4,7-8,13-19,21-23H2,(H,34,38)/t28-,30+/m1/s1
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8 -48.1n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19681
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O5/c1-2-6-21(18-30-20-9-11-22(12-10-20)37-26(27,28)29)31-25(34)36-23(17-19-7-4-3-5-8-19)24(33)32-13-15-35-16-14-32/h9-12,19,21,23,30H,2-8,13-18H2,1H3,(H,31,34)/t21-,23-/m0/s1
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16 -46.3n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19683
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C31H40F3N3O5/c32-31(33,34)42-27-15-13-25(14-16-27)35-22-26(12-11-23-7-3-1-4-8-23)36-30(39)41-28(21-24-9-5-2-6-10-24)29(38)37-17-19-40-20-18-37/h1,3-4,7-8,13-16,24,26,28,35H,2,5-6,9-12,17-22H2,(H,36,39)/t26-,28-/m0/s1
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18 -46.0n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19687
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H40FN3O4/c1-19(17-31-18-27(2,3)22-16-21(28)9-10-23(22)31)29-26(33)35-24(15-20-7-5-4-6-8-20)25(32)30-11-13-34-14-12-30/h9-10,16,19-20,24H,4-8,11-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1
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19 -45.8n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19688
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES CC1(C)CN(C[C@@H](NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)C2CC2)c2ccc(F)cc12
Show InChI InChI=1S/C29H42FN3O4/c1-29(2)19-33(25-11-10-22(30)17-23(25)29)18-24(21-8-9-21)31-28(35)37-26(16-20-6-4-3-5-7-20)27(34)32-12-14-36-15-13-32/h10-11,17,20-21,24,26H,3-9,12-16,18-19H2,1-2H3,(H,31,35)/t24-,26+/m1/s1
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19 -45.8n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19696
PNG
((2S)-3-cyclohexyl-1-oxo-1-(thiomorpholin-4-yl)prop...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCSCC1
Show InChI InChI=1S/C27H40FN3O3S/c1-19(17-31-18-27(2,3)22-16-21(28)9-10-23(22)31)29-26(33)34-24(15-20-7-5-4-6-8-20)25(32)30-11-13-35-14-12-30/h9-10,16,19-20,24H,4-8,11-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1
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23 -45.4n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19695
PNG
((2S)-3-cyclohexyl-1-oxo-1-(piperidin-1-yl)propan-2...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C28H42FN3O3/c1-20(18-32-19-28(2,3)23-17-22(29)12-13-24(23)32)30-27(34)35-25(16-21-10-6-4-7-11-21)26(33)31-14-8-5-9-15-31/h12-13,17,20-21,25H,4-11,14-16,18-19H2,1-3H3,(H,30,34)/t20-,25-/m0/s1
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39 -44.0n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19694
PNG
((2S)-3-cyclohexyl-1-oxo-1-(pyrrolidin-1-yl)propan-...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCCC1
Show InChI InChI=1S/C27H40FN3O3/c1-19(17-31-18-27(2,3)22-16-21(28)11-12-23(22)31)29-26(33)34-24(15-20-9-5-4-6-10-20)25(32)30-13-7-8-14-30/h11-12,16,19-20,24H,4-10,13-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1
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56 -43.1n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19686
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H40FN3O4/c1-19(18-31-23-10-9-22(28)16-21(23)17-27(31,2)3)29-26(33)35-24(15-20-7-5-4-6-8-20)25(32)30-11-13-34-14-12-30/h9-10,16,19-20,24H,4-8,11-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1
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80 -42.1n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19680
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H34F3N3O5/c1-17(16-28-19-7-9-20(10-8-19)35-24(25,26)27)29-23(32)34-21(15-18-5-3-2-4-6-18)22(31)30-11-13-33-14-12-30/h7-10,17-18,21,28H,2-6,11-16H2,1H3,(H,29,32)/t17-,21-/m0/s1
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100 -41.6n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19689
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CN1CC2(CC2)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H38FN3O4/c1-19(17-31-18-27(9-10-27)22-16-21(28)7-8-23(22)31)29-26(33)35-24(15-20-5-3-2-4-6-20)25(32)30-11-13-34-14-12-30/h7-8,16,19-20,24H,2-6,9-15,17-18H2,1H3,(H,29,33)/t19-,24-/m0/s1
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122 -41.0n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19678
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES OC[C@@H](CN1CCc2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H36FN3O5/c26-20-6-7-22-19(15-20)8-9-29(22)16-21(17-30)27-25(32)34-23(14-18-4-2-1-3-5-18)24(31)28-10-12-33-13-11-28/h6-7,15,18,21,23,30H,1-5,8-14,16-17H2,(H,27,32)/t21-,23+/m1/s1
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143 -40.6n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19691
PNG
((1S)-2-cyclohexyl-1-[(2-methoxyethyl)(methyl)carba...)
Show SMILES COCCN(C)C(=O)[C@H](CC1CCCCC1)OC(=O)N[C@@H](C)CN1CC(C)(C)c2cc(F)ccc12
Show InChI InChI=1S/C27H42FN3O4/c1-19(17-31-18-27(2,3)22-16-21(28)11-12-23(22)31)29-26(33)35-24(15-20-9-7-6-8-10-20)25(32)30(4)13-14-34-5/h11-12,16,19-20,24H,6-10,13-15,17-18H2,1-5H3,(H,29,33)/t19-,24-/m0/s1
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172 -40.2n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19693
PNG
((2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCC1
Show InChI InChI=1S/C26H38FN3O3/c1-18(16-30-17-26(2,3)21-15-20(27)10-11-22(21)30)28-25(32)33-23(24(31)29-12-7-13-29)14-19-8-5-4-6-9-19/h10-11,15,18-19,23H,4-9,12-14,16-17H2,1-3H3,(H,28,32)/t18-,23-/m0/s1
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217 -39.6n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19676
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H36FN3O4/c1-18(17-29-10-9-20-16-21(26)7-8-22(20)29)27-25(31)33-23(15-19-5-3-2-4-6-19)24(30)28-11-13-32-14-12-28/h7-8,16,18-19,23H,2-6,9-15,17H2,1H3,(H,27,31)/t18-,23-/m0/s1
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226 -39.5n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19692
PNG
((1S)-2-cyclohexyl-1-(dimethylcarbamoyl)ethyl N-[(2...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N(C)C
Show InChI InChI=1S/C25H38FN3O3/c1-17(15-29-16-25(2,3)20-14-19(26)11-12-21(20)29)27-24(31)32-22(23(30)28(4)5)13-18-9-7-6-8-10-18/h11-12,14,17-18,22H,6-10,13,15-16H2,1-5H3,(H,27,31)/t17-,22-/m0/s1
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227 -39.4n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19690
PNG
((2S)-3-cyclohexyl-1-[(2R,6S)-2,6-dimethylmorpholin...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1C[C@H](C)O[C@H](C)C1
Show InChI InChI=1S/C29H44FN3O4/c1-19(15-33-18-29(4,5)24-14-23(30)11-12-25(24)33)31-28(35)37-26(13-22-9-7-6-8-10-22)27(34)32-16-20(2)36-21(3)17-32/h11-12,14,19-22,26H,6-10,13,15-18H2,1-5H3,(H,31,35)/t19-,20-,21+,26-/m0/s1
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297 -38.8n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19685
PNG
((2S)-4,4-dimethyl-1-(morpholin-4-yl)-1-oxopentan-2...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC(C)(C)C)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H32F3N3O5/c1-15(14-26-16-5-7-17(8-6-16)33-22(23,24)25)27-20(30)32-18(13-21(2,3)4)19(29)28-9-11-31-12-10-28/h5-8,15,18,26H,9-14H2,1-4H3,(H,27,30)/t15-,18-/m0/s1
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355n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19697
PNG
((2S)-3-cyclohexyl-1-(1,1-dioxo-1,4-thiomorpholin-4...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C27H40FN3O5S/c1-19(17-31-18-27(2,3)22-16-21(28)9-10-23(22)31)29-26(33)36-24(15-20-7-5-4-6-8-20)25(32)30-11-13-37(34,35)14-12-30/h9-10,16,19-20,24H,4-8,11-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1
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422 -37.8n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19698
PNG
((2S)-3-cyclohexyl-1-(4-acetylpiperazin-1-yl)-1-oxo...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C29H43FN4O4/c1-20(18-34-19-29(3,4)24-17-23(30)10-11-25(24)34)31-28(37)38-26(16-22-8-6-5-7-9-22)27(36)33-14-12-32(13-15-33)21(2)35/h10-11,17,20,22,26H,5-9,12-16,18-19H2,1-4H3,(H,31,37)/t20-,26-/m0/s1
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986 -35.7n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19685
PNG
((2S)-4,4-dimethyl-1-(morpholin-4-yl)-1-oxopentan-2...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC(C)(C)C)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H32F3N3O5/c1-15(14-26-16-5-7-17(8-6-16)33-22(23,24)25)27-20(30)32-18(13-21(2,3)4)19(29)28-9-11-31-12-10-28/h5-8,15,18,26H,9-14H2,1-4H3,(H,27,30)/t15-,18-/m0/s1
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1.05E+3 -35.5n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19699
PNG
((2S)-3-cyclohexyl-1-(4-methanesulfonylpiperazin-1-...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C28H43FN4O5S/c1-20(18-32-19-28(2,3)23-17-22(29)10-11-24(23)32)30-27(35)38-25(16-21-8-6-5-7-9-21)26(34)31-12-14-33(15-13-31)39(4,36)37/h10-11,17,20-21,25H,5-9,12-16,18-19H2,1-4H3,(H,30,35)/t20-,25-/m0/s1
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1.08E+3 -35.4n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19682
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O5/c1-18(2)22(17-30-20-8-10-21(11-9-20)37-26(27,28)29)31-25(34)36-23(16-19-6-4-3-5-7-19)24(33)32-12-14-35-15-13-32/h8-11,18-19,22-23,30H,3-7,12-17H2,1-2H3,(H,31,34)/t22-,23+/m1/s1
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1.18E+3n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19681
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O5/c1-2-6-21(18-30-20-9-11-22(12-10-20)37-26(27,28)29)31-25(34)36-23(17-19-7-4-3-5-8-19)24(33)32-13-15-35-16-14-32/h9-12,19,21,23,30H,2-8,13-18H2,1H3,(H,31,34)/t21-,23-/m0/s1
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1.39E+3n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19677
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES Fc1ccc2N(CCNC(=O)O[C@@H](CC3CCCCC3)C(=O)N3CCOCC3)CCc2c1
Show InChI InChI=1S/C24H34FN3O4/c25-20-6-7-21-19(17-20)8-10-27(21)11-9-26-24(30)32-22(16-18-4-2-1-3-5-18)23(29)28-12-14-31-15-13-28/h6-7,17-18,22H,1-5,8-16H2,(H,26,30)/t22-/m0/s1
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2.95E+3 -32.8n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19683
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C31H40F3N3O5/c32-31(33,34)42-27-15-13-25(14-16-27)35-22-26(12-11-23-7-3-1-4-8-23)36-30(39)41-28(21-24-9-5-2-6-10-24)29(38)37-17-19-40-20-18-37/h1,3-4,7-8,13-16,24,26,28,35H,2,5-6,9-12,17-22H2,(H,36,39)/t26-,28-/m0/s1
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3.97E+3n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19681
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O5/c1-2-6-21(18-30-20-9-11-22(12-10-20)37-26(27,28)29)31-25(34)36-23(17-19-7-4-3-5-8-19)24(33)32-13-15-35-16-14-32/h9-12,19,21,23,30H,2-8,13-18H2,1H3,(H,31,34)/t21-,23-/m0/s1
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5.47E+3n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19682
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O5/c1-18(2)22(17-30-20-8-10-21(11-9-20)37-26(27,28)29)31-25(34)36-23(16-19-6-4-3-5-7-19)24(33)32-12-14-35-15-13-32/h8-11,18-19,22-23,30H,3-7,12-17H2,1-2H3,(H,31,34)/t22-,23+/m1/s1
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6.03E+3n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19679
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES Fc1ccc2N(C[C@H](COCc3ccccc3)NC(=O)O[C@@H](CC3CCCCC3)C(=O)N3CCOCC3)CCc2c1
Show InChI InChI=1S/C32H42FN3O5/c33-27-11-12-29-26(20-27)13-14-36(29)21-28(23-40-22-25-9-5-2-6-10-25)34-32(38)41-30(19-24-7-3-1-4-8-24)31(37)35-15-17-39-18-16-35/h2,5-6,9-12,20,24,28,30H,1,3-4,7-8,13-19,21-23H2,(H,34,38)/t28-,30+/m1/s1
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8.71E+3n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19683
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C31H40F3N3O5/c32-31(33,34)42-27-15-13-25(14-16-27)35-22-26(12-11-23-7-3-1-4-8-23)36-30(39)41-28(21-24-9-5-2-6-10-24)29(38)37-17-19-40-20-18-37/h1,3-4,7-8,13-16,24,26,28,35H,2,5-6,9-12,17-22H2,(H,36,39)/t26-,28-/m0/s1
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9.79E+3n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19684
PNG
((2S)-1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl ...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H28F3N3O5/c1-17(16-28-19-7-9-20(10-8-19)35-24(25,26)27)29-23(32)34-21(15-18-5-3-2-4-6-18)22(31)30-11-13-33-14-12-30/h2-10,17,21,28H,11-16H2,1H3,(H,29,32)/t17-,21-/m0/s1
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1.26E+4 -29.1n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19679
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES Fc1ccc2N(C[C@H](COCc3ccccc3)NC(=O)O[C@@H](CC3CCCCC3)C(=O)N3CCOCC3)CCc2c1
Show InChI InChI=1S/C32H42FN3O5/c33-27-11-12-29-26(20-27)13-14-36(29)21-28(23-40-22-25-9-5-2-6-10-25)34-32(38)41-30(19-24-7-3-1-4-8-24)31(37)35-15-17-39-18-16-35/h2,5-6,9-12,20,24,28,30H,1,3-4,7-8,13-19,21-23H2,(H,34,38)/t28-,30+/m1/s1
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1.77E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19677
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES Fc1ccc2N(CCNC(=O)O[C@@H](CC3CCCCC3)C(=O)N3CCOCC3)CCc2c1
Show InChI InChI=1S/C24H34FN3O4/c25-20-6-7-21-19(17-20)8-10-27(21)11-9-26-24(30)32-22(16-18-4-2-1-3-5-18)23(29)28-12-14-31-15-13-28/h6-7,17-18,22H,1-5,8-16H2,(H,26,30)/t22-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19676
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H36FN3O4/c1-18(17-29-10-9-20-16-21(26)7-8-22(20)29)27-25(31)33-23(15-19-5-3-2-4-6-19)24(30)28-11-13-32-14-12-28/h7-8,16,18-19,23H,2-6,9-15,17H2,1H3,(H,27,31)/t18-,23-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19689
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CN1CC2(CC2)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H38FN3O4/c1-19(17-31-18-27(9-10-27)22-16-21(28)7-8-23(22)31)29-26(33)35-24(15-20-5-3-2-4-6-20)25(32)30-11-13-34-14-12-30/h7-8,16,19-20,24H,2-6,9-15,17-18H2,1H3,(H,29,33)/t19-,24-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19677
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES Fc1ccc2N(CCNC(=O)O[C@@H](CC3CCCCC3)C(=O)N3CCOCC3)CCc2c1
Show InChI InChI=1S/C24H34FN3O4/c25-20-6-7-21-19(17-20)8-10-27(21)11-9-26-24(30)32-22(16-18-4-2-1-3-5-18)23(29)28-12-14-31-15-13-28/h6-7,17-18,22H,1-5,8-16H2,(H,26,30)/t22-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19680
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H34F3N3O5/c1-17(16-28-19-7-9-20(10-8-19)35-24(25,26)27)29-23(32)34-21(15-18-5-3-2-4-6-18)22(31)30-11-13-33-14-12-30/h7-10,17-18,21,28H,2-6,11-16H2,1H3,(H,29,32)/t17-,21-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19676
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H36FN3O4/c1-18(17-29-10-9-20-16-21(26)7-8-22(20)29)27-25(31)33-23(15-19-5-3-2-4-6-19)24(30)28-11-13-32-14-12-28/h7-8,16,18-19,23H,2-6,9-15,17H2,1H3,(H,27,31)/t18-,23-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19688
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES CC1(C)CN(C[C@@H](NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)C2CC2)c2ccc(F)cc12
Show InChI InChI=1S/C29H42FN3O4/c1-29(2)19-33(25-11-10-22(30)17-23(25)29)18-24(21-8-9-21)31-28(35)37-26(16-20-6-4-3-5-7-20)27(34)32-12-14-36-15-13-32/h10-11,17,20-21,24,26H,3-9,12-16,18-19H2,1-2H3,(H,31,35)/t24-,26+/m1/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19678
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES OC[C@@H](CN1CCc2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H36FN3O5/c26-20-6-7-22-19(15-20)8-9-29(22)16-21(17-30)27-25(32)34-23(14-18-4-2-1-3-5-18)24(31)28-10-12-33-13-11-28/h6-7,15,18,21,23,30H,1-5,8-14,16-17H2,(H,27,32)/t21-,23+/m1/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19688
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES CC1(C)CN(C[C@@H](NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)C2CC2)c2ccc(F)cc12
Show InChI InChI=1S/C29H42FN3O4/c1-29(2)19-33(25-11-10-22(30)17-23(25)29)18-24(21-8-9-21)31-28(35)37-26(16-20-6-4-3-5-7-20)27(34)32-12-14-36-15-13-32/h10-11,17,20-21,24,26H,3-9,12-16,18-19H2,1-2H3,(H,31,35)/t24-,26+/m1/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19689
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CN1CC2(CC2)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H38FN3O4/c1-19(17-31-18-27(9-10-27)22-16-21(28)7-8-23(22)31)29-26(33)35-24(15-20-5-3-2-4-6-20)25(32)30-11-13-34-14-12-30/h7-8,16,19-20,24H,2-6,9-15,17-18H2,1H3,(H,29,33)/t19-,24-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19680
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H34F3N3O5/c1-17(16-28-19-7-9-20(10-8-19)35-24(25,26)27)29-23(32)34-21(15-18-5-3-2-4-6-18)22(31)30-11-13-33-14-12-30/h7-10,17-18,21,28H,2-6,11-16H2,1H3,(H,29,32)/t17-,21-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19678
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES OC[C@@H](CN1CCc2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H36FN3O5/c26-20-6-7-22-19(15-20)8-9-29(22)16-21(17-30)27-25(32)34-23(14-18-4-2-1-3-5-18)24(31)28-10-12-33-13-11-28/h6-7,15,18,21,23,30H,1-5,8-14,16-17H2,(H,27,32)/t21-,23+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19686
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H40FN3O4/c1-19(18-31-23-10-9-22(28)16-21(23)17-27(31,2)3)29-26(33)35-24(15-20-7-5-4-6-8-20)25(32)30-11-13-34-14-12-30/h9-10,16,19-20,24H,4-8,11-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19684
PNG
((2S)-1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl ...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H28F3N3O5/c1-17(16-28-19-7-9-20(10-8-19)35-24(25,26)27)29-23(32)34-21(15-18-5-3-2-4-6-18)22(31)30-11-13-33-14-12-30/h2-10,17,21,28H,11-16H2,1H3,(H,29,32)/t17-,21-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19687
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H40FN3O4/c1-19(17-31-18-27(2,3)22-16-21(28)9-10-23(22)31)29-26(33)35-24(15-20-7-5-4-6-8-20)25(32)30-11-13-34-14-12-30/h9-10,16,19-20,24H,4-8,11-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19685
PNG
((2S)-4,4-dimethyl-1-(morpholin-4-yl)-1-oxopentan-2...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC(C)(C)C)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H32F3N3O5/c1-15(14-26-16-5-7-17(8-6-16)33-22(23,24)25)27-20(30)32-18(13-21(2,3)4)19(29)28-9-11-31-12-10-28/h5-8,15,18,26H,9-14H2,1-4H3,(H,27,30)/t15-,18-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19686
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H40FN3O4/c1-19(18-31-23-10-9-22(28)16-21(23)17-27(31,2)3)29-26(33)35-24(15-20-7-5-4-6-8-20)25(32)30-11-13-34-14-12-30/h9-10,16,19-20,24H,4-8,11-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19687
PNG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H40FN3O4/c1-19(17-31-18-27(2,3)22-16-21(28)9-10-23(22)31)29-26(33)35-24(15-20-7-5-4-6-8-20)25(32)30-11-13-34-14-12-30/h9-10,16,19-20,24H,4-8,11-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19684
PNG
((2S)-1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl ...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H28F3N3O5/c1-17(16-28-19-7-9-20(10-8-19)35-24(25,26)27)29-23(32)34-21(15-18-5-3-2-4-6-18)22(31)30-11-13-33-14-12-30/h2-10,17,21,28H,11-16H2,1H3,(H,29,32)/t17-,21-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 5107-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.032
BindingDB Entry DOI: 10.7270/Q2FF3QM1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%