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Compile Data Set for Download or QSAR

Found 170 hits of Enz. Inhib. data with enzyme = 'Cathepsin K' and Substrate = 'BDBM19583'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K


(Homo sapiens (human))
BDBM19545
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C23H31N3O3/c1-16(2)14-21(26-22(27)18-7-5-6-17(3)15-18)23(28)25-13-12-24-19-8-10-20(29-4)11-9-19/h5-11,15-16,21,24H,12-14H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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43n/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 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19604
PNG
((2S)-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CCS(C)(=O)=O)CN1CCc2cc(F)ccc12
Show InChI InChI=1S/C28H38FN3O5S/c1-28(2,3)17-24(31-26(33)20-7-6-8-23(16-20)37-4)27(34)30-22(12-14-38(5,35)36)18-32-13-11-19-15-21(29)9-10-25(19)32/h6-10,15-16,22,24H,11-14,17-18H2,1-5H3,(H,30,34)(H,31,33)/t22-,24-/m0/s1
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47n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19568
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C29H35N3O3/c1-35-26-15-13-25(14-16-26)30-17-18-31-29(34)27(19-21-7-3-2-4-8-21)32-28(33)24-12-11-22-9-5-6-10-23(22)20-24/h5-6,9-16,20-21,27,30H,2-4,7-8,17-19H2,1H3,(H,31,34)(H,32,33)/t27-/m0/s1
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55n/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 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19610
PNG
((2S)-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl...)
Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C24H33N3O3/c1-16(2)13-22(27-23(28)19-8-6-7-17(3)14-19)24(29)26-18(4)15-25-20-9-11-21(30-5)12-10-20/h6-12,14,16,18,22,25H,13,15H2,1-5H3,(H,26,29)(H,27,28)/t18-,22-/m0/s1
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55n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19569
PNG
((2S)-2-[(5-chloro-1-benzofuran-2-yl)formamido]-3-c...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3cc(Cl)ccc3o2)cc1
Show InChI InChI=1S/C27H32ClN3O4/c1-34-22-10-8-21(9-11-22)29-13-14-30-26(32)23(15-18-5-3-2-4-6-18)31-27(33)25-17-19-16-20(28)7-12-24(19)35-25/h7-12,16-18,23,29H,2-6,13-15H2,1H3,(H,30,32)(H,31,33)/t23-/m0/s1
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58n/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 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM19548
PNG
((2S)-2-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@@H](NC(=O)c2cccc(C)c2)C2CCCCC2)cc1
Show InChI InChI=1S/C25H33N3O3/c1-18-7-6-10-20(17-18)24(29)28-23(19-8-4-3-5-9-19)25(30)27-16-15-26-21-11-13-22(31-2)14-12-21/h6-7,10-14,17,19,23,26H,3-5,8-9,15-16H2,1-2H3,(H,27,30)(H,28,29)/t23-/m0/s1
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66n/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 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19592
PNG
((2S)-N-[2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)ethy...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2cc(F)ccc12
Show InChI InChI=1S/C24H30FN3O2/c1-16(2)13-21(27-23(29)19-6-4-5-17(3)14-19)24(30)26-10-12-28-11-9-18-15-20(25)7-8-22(18)28/h4-8,14-16,21H,9-13H2,1-3H3,(H,26,30)(H,27,29)/t21-/m0/s1
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80n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19545
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4-methyl-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C23H31N3O3/c1-16(2)14-21(26-22(27)18-7-5-6-17(3)15-18)23(28)25-13-12-24-19-8-10-20(29-4)11-9-19/h5-11,15-16,21,24H,12-14H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1
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91n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19552
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-met...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C26H29N3O3/c1-19-7-6-10-21(17-19)25(30)29-24(18-20-8-4-3-5-9-20)26(31)28-16-15-27-22-11-13-23(32-2)14-12-22/h3-14,17,24,27H,15-16,18H2,1-2H3,(H,28,31)(H,29,30)/t24-/m0/s1
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123n/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 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19585
PNG
((2S)-N-{2-[(4-methoxy-3,5-dimethylphenyl)amino]eth...)
Show SMILES COc1c(C)cc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1C
Show InChI InChI=1S/C25H35N3O3/c1-16(2)12-22(28-24(29)20-9-7-8-17(3)13-20)25(30)27-11-10-26-21-14-18(4)23(31-6)19(5)15-21/h7-9,13-16,22,26H,10-12H2,1-6H3,(H,27,30)(H,28,29)/t22-/m0/s1
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125n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19587
PNG
((2S)-4-methyl-2-[(3-methylphenyl)formamido]-N-(2-{...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H28F3N3O3/c1-15(2)13-20(29-21(30)17-6-4-5-16(3)14-17)22(31)28-12-11-27-18-7-9-19(10-8-18)32-23(24,25)26/h4-10,14-15,20,27H,11-13H2,1-3H3,(H,28,31)(H,29,30)/t20-/m0/s1
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125n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19715
PNG
((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...)
Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C25H37F3N4O4/c1-2-19(17-29-20-8-10-21(11-9-20)36-25(26,27)28)30-23(33)22(16-18-6-4-3-5-7-18)31-24(34)32-12-14-35-15-13-32/h8-11,18-19,22,29H,2-7,12-17H2,1H3,(H,30,33)(H,31,34)/t19-,22-/m0/s1
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130n/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: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19586
PNG
((2S)-N-{2-[(4-methoxy-2,6-dimethylphenyl)amino]eth...)
Show SMILES COc1cc(C)c(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)c(C)c1
Show InChI InChI=1S/C25H35N3O3/c1-16(2)12-22(28-24(29)20-9-7-8-17(3)13-20)25(30)27-11-10-26-23-18(4)14-21(31-6)15-19(23)5/h7-9,13-16,22,26H,10-12H2,1-6H3,(H,27,30)(H,28,29)/t22-/m0/s1
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131n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19716
PNG
((2S)-3-cyclohexyl-N-[(2S)-4-methanesulfonyl-1-{[4-...)
Show SMILES CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C26H39F3N4O6S/c1-40(36,37)16-11-21(18-30-20-7-9-22(10-8-20)39-26(27,28)29)31-24(34)23(17-19-5-3-2-4-6-19)32-25(35)33-12-14-38-15-13-33/h7-10,19,21,23,30H,2-6,11-18H2,1H3,(H,31,34)(H,32,35)/t21-,23-/m0/s1
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139n/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: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19591
PNG
((2S)-N-[2-(5-chloro-2,3-dihydro-1H-indol-1-yl)ethy...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2cc(Cl)ccc12
Show InChI InChI=1S/C24H30ClN3O2/c1-16(2)13-21(27-23(29)19-6-4-5-17(3)14-19)24(30)26-10-12-28-11-9-18-15-20(25)7-8-22(18)28/h4-8,14-16,21H,9-13H2,1-3H3,(H,26,30)(H,27,29)/t21-/m0/s1
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139n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19702
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-3-cyclohexyl-N...)
Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C27H30F3N3O4/c28-27(29,30)37-21-12-10-20(11-13-21)31-14-15-32-25(34)22(16-18-6-2-1-3-7-18)33-26(35)24-17-19-8-4-5-9-23(19)36-24/h4-5,8-13,17-18,22,31H,1-3,6-7,14-16H2,(H,32,34)(H,33,35)/t22-/m0/s1
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150n/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: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM19661
PNG
((2R)-N-[(2S)-3-methyl-1-{[4-(trifluoromethoxy)phen...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C28H36F3N3O4/c1-20(2)25(19-32-23-10-12-24(13-11-23)38-28(29,30)31)33-27(36)22(9-8-21-6-4-3-5-7-21)18-26(35)34-14-16-37-17-15-34/h3-7,10-13,20,22,25,32H,8-9,14-19H2,1-2H3,(H,33,36)/t22-,25-/m1/s1
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184n/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 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19613
PNG
(arylaminoethyl amide compound 12 | ethyl (3S)-4-(5...)
Show SMILES CCOC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(OC)c1
Show InChI InChI=1S/C29H38FN3O5/c1-6-38-26(34)16-22(18-33-13-12-19-14-21(30)10-11-25(19)33)31-28(36)24(17-29(2,3)4)32-27(35)20-8-7-9-23(15-20)37-5/h7-11,14-15,22,24H,6,12-13,16-18H2,1-5H3,(H,31,36)(H,32,35)/t22-,24-/m0/s1
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184n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19549
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C26H35N3O3/c1-19-7-6-10-21(17-19)25(30)29-24(18-20-8-4-3-5-9-20)26(31)28-16-15-27-22-11-13-23(32-2)14-12-22/h6-7,10-14,17,20,24,27H,3-5,8-9,15-16,18H2,1-2H3,(H,28,31)(H,29,30)/t24-/m0/s1
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205n/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 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19653
PNG
((2R)-2-(cyclopentylmethyl)-4-(morpholin-4-yl)-4-ox...)
Show SMILES CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O4/c1-2-5-22(18-30-21-8-10-23(11-9-21)36-26(27,28)29)31-25(34)20(16-19-6-3-4-7-19)17-24(33)32-12-14-35-15-13-32/h8-11,19-20,22,30H,2-7,12-18H2,1H3,(H,31,34)/t20-,22+/m1/s1
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217n/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 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19547
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-4,4-dimet...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C24H33N3O3/c1-17-7-6-8-18(15-17)22(28)27-21(16-24(2,3)4)23(29)26-14-13-25-19-9-11-20(30-5)12-10-19/h6-12,15,21,25H,13-14,16H2,1-5H3,(H,26,29)(H,27,28)/t21-/m0/s1
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246n/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 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19649
PNG
((2R)-2-(cyclohexylmethyl)-N-[(2S)-4-methanesulfony...)
Show SMILES CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O6S/c1-40(36,37)16-11-23(19-31-22-7-9-24(10-8-22)39-27(28,29)30)32-26(35)21(17-20-5-3-2-4-6-20)18-25(34)33-12-14-38-15-13-33/h7-10,20-21,23,31H,2-6,11-19H2,1H3,(H,32,35)/t21-,23+/m1/s1
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260n/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 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19622
PNG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1
Show InChI InChI=1S/C26H33ClN4O3/c1-17(16-28-19-11-13-20(33-2)14-12-19)29-25(32)23(15-18-7-4-3-5-8-18)31-26-30-22-10-6-9-21(27)24(22)34-26/h6,9-14,17-18,23,28H,3-5,7-8,15-16H2,1-2H3,(H,29,32)(H,30,31)/t17-,23-/m0/s1
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286n/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: 1975-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.095
BindingDB Entry DOI: 10.7270/Q2PZ573M
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19660
PNG
((2R)-4-(morpholin-4-yl)-4-oxo-2-(2-phenylethyl)-N-...)
Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H34F3N3O4/c1-2-22(19-31-23-10-12-24(13-11-23)37-27(28,29)30)32-26(35)21(9-8-20-6-4-3-5-7-20)18-25(34)33-14-16-36-17-15-33/h3-7,10-13,21-22,31H,2,8-9,14-19H2,1H3,(H,32,35)/t21-,22+/m1/s1
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291n/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 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19590
PNG
((2S)-N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-meth...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2ccccc12
Show InChI InChI=1S/C24H31N3O2/c1-17(2)15-21(26-23(28)20-9-6-7-18(3)16-20)24(29)25-12-14-27-13-11-19-8-4-5-10-22(19)27/h4-10,16-17,21H,11-15H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1
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310n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19611
PNG
((2S)-N-[(2R)-1-[(4-methoxyphenyl)amino]propan-2-yl...)
Show SMILES COc1ccc(NC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C24H33N3O3/c1-16(2)13-22(27-23(28)19-8-6-7-17(3)14-19)24(29)26-18(4)15-25-20-9-11-21(30-5)12-10-20/h6-12,14,16,18,22,25H,13,15H2,1-5H3,(H,26,29)(H,27,28)/t18-,22+/m1/s1
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337n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19575
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)N2CCOCC2)cc1
Show InChI InChI=1S/C29H40N4O4/c1-36-26-13-9-24(10-14-26)30-15-16-31-29(35)27(21-22-5-3-2-4-6-22)32-28(34)23-7-11-25(12-8-23)33-17-19-37-20-18-33/h7-14,22,27,30H,2-6,15-21H2,1H3,(H,31,35)(H,32,34)/t27-/m0/s1
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341n/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 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
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 K


(Homo sapiens (human))
BDBM19588
PNG
((2S)-N-{2-[(4-chlorophenyl)amino]ethyl}-4-methyl-2...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCNc1ccc(Cl)cc1
Show InChI InChI=1S/C22H28ClN3O2/c1-15(2)13-20(26-21(27)17-6-4-5-16(3)14-17)22(28)25-12-11-24-19-9-7-18(23)8-10-19/h4-10,14-15,20,24H,11-13H2,1-3H3,(H,25,28)(H,26,27)/t20-/m0/s1
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408n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19577
PNG
((2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1
Show InChI InChI=1S/C31H40N6O3/c1-21-19-22(2)35-31(34-21)36-26-11-9-24(10-12-26)29(38)37-28(20-23-7-5-4-6-8-23)30(39)33-18-17-32-25-13-15-27(40-3)16-14-25/h9-16,19,23,28,32H,4-8,17-18,20H2,1-3H3,(H,33,39)(H,37,38)(H,34,35,36)/t28-/m0/s1
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438n/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 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19612
PNG
((3S)-4-(5-fluoro-2,3-dihydro-1H-indol-1-yl)-3-[(2S...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](CN1CCc2cc(F)ccc12)CC(O)=O
Show InChI InChI=1S/C27H34FN3O5/c1-27(2,3)15-22(30-25(34)18-6-5-7-21(13-18)36-4)26(35)29-20(14-24(32)33)16-31-11-10-17-12-19(28)8-9-23(17)31/h5-9,12-13,20,22H,10-11,14-16H2,1-4H3,(H,29,35)(H,30,34)(H,32,33)/t20-,22-/m0/s1
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460n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19720
PNG
((2S)-4,4-dimethyl-2-(morpholin-4-ylcarbonylamino)-...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1CCOCC1
Show InChI InChI=1S/C22H33F3N4O4/c1-15(14-26-16-5-7-17(8-6-16)33-22(23,24)25)27-19(30)18(13-21(2,3)4)28-20(31)29-9-11-32-12-10-29/h5-8,15,18,26H,9-14H2,1-4H3,(H,27,30)(H,28,31)/t15-,18-/m0/s1
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461n/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: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19589
PNG
((2S)-N-{2-[(4-fluorophenyl)amino]ethyl}-4-methyl-2...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCNc1ccc(F)cc1
Show InChI InChI=1S/C22H28FN3O2/c1-15(2)13-20(26-21(27)17-6-4-5-16(3)14-17)22(28)25-12-11-24-19-9-7-18(23)8-10-19/h4-10,14-15,20,24H,11-13H2,1-3H3,(H,25,28)(H,26,27)/t20-/m0/s1
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478n/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: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19645
PNG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
Show SMILES CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O4/c1-2-6-23(19-31-22-9-11-24(12-10-22)37-27(28,29)30)32-26(35)21(17-20-7-4-3-5-8-20)18-25(34)33-13-15-36-16-14-33/h9-12,20-21,23,31H,2-8,13-19H2,1H3,(H,32,35)/t21-,23+/m1/s1
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557n/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 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19555
PNG
((2S)-3-(2-chlorophenyl)-N-{2-[(4-methoxyphenyl)ami...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccccc2Cl)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C26H28ClN3O3/c1-18-6-5-8-20(16-18)25(31)30-24(17-19-7-3-4-9-23(19)27)26(32)29-15-14-28-21-10-12-22(33-2)13-11-21/h3-13,16,24,28H,14-15,17H2,1-2H3,(H,29,32)(H,30,31)/t24-/m0/s1
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595n/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 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19663
PNG
((2S)-4-(morpholin-4-yl)-4-oxo-2-phenyl-N-[(2S)-4-p...)
Show SMILES FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccccc2)cc1
Show InChI InChI=1S/C31H34F3N3O4/c32-31(33,34)41-27-15-13-25(14-16-27)35-22-26(12-11-23-7-3-1-4-8-23)36-30(39)28(24-9-5-2-6-10-24)21-29(38)37-17-19-40-20-18-37/h1-10,13-16,26,28,35H,11-12,17-22H2,(H,36,39)/t26-,28-/m0/s1
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710n/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 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19576
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-n2cncn2)cc1
Show InChI InChI=1S/C27H34N6O3/c1-36-24-13-9-22(10-14-24)29-15-16-30-27(35)25(17-20-5-3-2-4-6-20)32-26(34)21-7-11-23(12-8-21)33-19-28-18-31-33/h7-14,18-20,25,29H,2-6,15-17H2,1H3,(H,30,35)(H,32,34)/t25-/m0/s1
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718n/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 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19644
PNG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O4/c1-2-21(18-30-22-8-10-23(11-9-22)36-26(27,28)29)31-25(34)20(16-19-6-4-3-5-7-19)17-24(33)32-12-14-35-15-13-32/h8-11,19-21,30H,2-7,12-18H2,1H3,(H,31,34)/t20-,21+/m1/s1
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907n/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 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM19646
PNG
((2R)-2-(cyclohexylmethyl)-N-[(2S)-3-methyl-1-{[4-(...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-8-10-23(11-9-22)37-27(28,29)30)32-26(35)21(16-20-6-4-3-5-7-20)17-25(34)33-12-14-36-15-13-33/h8-11,19-21,24,31H,3-7,12-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1
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995n/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 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (human))
BDBM19623
PNG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
Show SMILES C[C@@H](CNc1ccc(cc1)S(C)(=O)=O)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1
Show InChI InChI=1S/C26H33ClN4O4S/c1-17(16-28-19-11-13-20(14-12-19)36(2,33)34)29-25(32)23(15-18-7-4-3-5-8-18)31-26-30-22-10-6-9-21(27)24(22)35-26/h6,9-14,17-18,23,28H,3-5,7-8,15-16H2,1-2H3,(H,29,32)(H,30,31)/t17-,23-/m0/s1
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1.05E+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: 1975-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.095
BindingDB Entry DOI: 10.7270/Q2PZ573M
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19652
PNG
((2R)-2-(cyclopentylmethyl)-N-[(2S)-3-methyl-1-{[4-...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C26H38F3N3O4/c1-18(2)23(17-30-21-7-9-22(10-8-21)36-26(27,28)29)31-25(34)20(15-19-5-3-4-6-19)16-24(33)32-11-13-35-14-12-32/h7-10,18-20,23,30H,3-6,11-17H2,1-2H3,(H,31,34)/t20-,23-/m1/s1
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1.14E+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 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
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))
BDBM19719
PNG
((2S)-4,4-dimethyl-2-(morpholin-4-ylcarbonylamino)-...)
Show SMILES CC(C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H31F3N4O4/c1-20(2,3)14-17(27-19(30)28-10-12-31-13-11-28)18(29)26-9-8-25-15-4-6-16(7-5-15)32-21(22,23)24/h4-7,17,25H,8-14H2,1-3H3,(H,26,29)(H,27,30)/t17-/m0/s1
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1.33E+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: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
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 K


(Homo sapiens (human))
BDBM19647
PNG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
Show SMILES FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C32H42F3N3O4/c33-32(34,35)42-29-15-13-27(14-16-29)36-23-28(12-11-24-7-3-1-4-8-24)37-31(40)26(21-25-9-5-2-6-10-25)22-30(39)38-17-19-41-20-18-38/h1,3-4,7-8,13-16,25-26,28,36H,2,5-6,9-12,17-23H2,(H,37,40)/t26-,28+/m1/s1
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1.48E+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 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19721
PNG
((2S)-3-cyclopentyl-2-(morpholin-4-ylcarbonylamino)...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C23H33F3N4O4/c1-16(15-27-18-6-8-19(9-7-18)34-23(24,25)26)28-21(31)20(14-17-4-2-3-5-17)29-22(32)30-10-12-33-13-11-30/h6-9,16-17,20,27H,2-5,10-15H2,1H3,(H,28,31)(H,29,32)/t16-,20-/m0/s1
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1.54E+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: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19580
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cnn(c2C)-c2ccccc2)cc1
Show InChI InChI=1S/C29H37N5O3/c1-21-26(20-32-34(21)24-11-7-4-8-12-24)28(35)33-27(19-22-9-5-3-6-10-22)29(36)31-18-17-30-23-13-15-25(37-2)16-14-23/h4,7-8,11-16,20,22,27,30H,3,5-6,9-10,17-19H2,1-2H3,(H,31,36)(H,33,35)/t27-/m0/s1
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1.58E+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 15: 4979-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.017
BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19714
PNG
((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C24H35F3N4O4/c1-17(16-28-19-7-9-20(10-8-19)35-24(25,26)27)29-22(32)21(15-18-5-3-2-4-6-18)30-23(33)31-11-13-34-14-12-31/h7-10,17-18,21,28H,2-6,11-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-/m0/s1
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1.66E+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: 5112-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.033
BindingDB Entry DOI: 10.7270/Q29P2ZXR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19662
PNG
((2R)-N-[(2S)-3-methyl-1-{[4-(trifluoromethoxy)phen...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C29H38F3N3O4/c1-21(2)26(20-33-24-11-13-25(14-12-24)39-29(30,31)32)34-28(37)23(10-6-9-22-7-4-3-5-8-22)19-27(36)35-15-17-38-18-16-35/h3-5,7-8,11-14,21,23,26,33H,6,9-10,15-20H2,1-2H3,(H,34,37)/t23-,26-/m1/s1
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2.12E+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 17: 2899-903 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.049
BindingDB Entry DOI: 10.7270/Q2K64GBR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM19624
PNG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
Show SMILES C[C@@H](CNc1cccc(c1)S(C)(=O)=O)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1
Show InChI InChI=1S/C26H33ClN4O4S/c1-17(16-28-19-10-6-11-20(15-19)36(2,33)34)29-25(32)23(14-18-8-4-3-5-9-18)31-26-30-22-13-7-12-21(27)24(22)35-26/h6-7,10-13,15,17-18,23,28H,3-5,8-9,14,16H2,1-2H3,(H,29,32)(H,30,31)/t17-,23-/m0/s1
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2.13E+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: 1975-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.095
BindingDB Entry DOI: 10.7270/Q2PZ573M
More data for this
Ligand-Target Pair
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