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Compile Data Set for Download or QSAR

Found 180 hits of Enz. Inhib. data with enzyme = 'Cathepsin S' and Substrate = 'BDBM19546'   
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 S


(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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1 -12.8n/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: 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 S


(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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2n/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 S


(Homo sapiens (Human))
BDBM19570
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C31H37N3O3/c1-37-28-17-15-27(16-18-28)32-19-20-33-31(36)29(21-23-9-4-2-5-10-23)34-30(35)26-14-8-13-25(22-26)24-11-6-3-7-12-24/h3,6-8,11-18,22-23,29,32H,2,4-5,9-10,19-21H2,1H3,(H,33,36)(H,34,35)/t29-/m0/s1
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2.90n/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 S


(Homo sapiens (Human))
BDBM19627
PNG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1
Show InChI InChI=1S/C29H36ClFN4O2/c1-18(16-35-17-29(2,3)21-15-20(31)12-13-25(21)35)32-27(36)24(14-19-8-5-4-6-9-19)34-28-33-23-11-7-10-22(30)26(23)37-28/h7,10-13,15,18-19,24H,4-6,8-9,14,16-17H2,1-3H3,(H,32,36)(H,33,34)/t18-,24-/m0/s1
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3 -12.1n/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: 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 S


(Homo sapiens (Human))
BDBM19582
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C30H34F3N3O4/c1-39-24-12-10-23(11-13-24)34-16-17-35-28(37)25(18-20-6-3-2-4-7-20)36-29(38)27-15-14-26(40-27)21-8-5-9-22(19-21)30(31,32)33/h5,8-15,19-20,25,34H,2-4,6-7,16-18H2,1H3,(H,35,37)(H,36,38)/t25-/m0/s1
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3.30n/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 S


(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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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 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 S


(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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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 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 S


(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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5 -11.8n/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: 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 S


(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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5 -11.8n/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 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 S


(Homo sapiens (Human))
BDBM19631
PNG
((2S)-2-(1,3-benzoxazol-2-ylamino)-N-[(2R)-1-(benzy...)
Show SMILES Fc1ccc2N(C[C@H](COCc3ccccc3)NC(=O)[C@H](CC3CCCCC3)Nc3nc4ccccc4o3)CCc2c1
Show InChI InChI=1S/C34H39FN4O3/c35-27-15-16-31-26(20-27)17-18-39(31)21-28(23-41-22-25-11-5-2-6-12-25)36-33(40)30(19-24-9-3-1-4-10-24)38-34-37-29-13-7-8-14-32(29)42-34/h2,5-8,11-16,20,24,28,30H,1,3-4,9-10,17-19,21-23H2,(H,36,40)(H,37,38)/t28-,30+/m1/s1
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5 -11.8n/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: 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 S


(Homo sapiens (Human))
BDBM19704
PNG
((2S)-3-cyclohexyl-2-(furan-3-ylformamido)-N-(2-{[4...)
Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccoc2)cc1
Show InChI InChI=1S/C23H28F3N3O4/c24-23(25,26)33-19-8-6-18(7-9-19)27-11-12-28-22(31)20(14-16-4-2-1-3-5-16)29-21(30)17-10-13-32-15-17/h6-10,13,15-16,20,27H,1-5,11-12,14H2,(H,28,31)(H,29,30)/t20-/m0/s1
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6 -11.7n/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: 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 S


(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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6 -11.7n/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: 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 S


(Homo sapiens (Human))
BDBM19606
PNG
((2S)-4-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CCN1CCOCC1)CN1CCc2cc(F)ccc12
Show InChI InChI=1S/C34H47FN4O4/c1-42-30-9-5-8-27(23-30)33(40)37-31(12-10-25-6-3-2-4-7-25)34(41)36-29(15-16-38-18-20-43-21-19-38)24-39-17-14-26-22-28(35)11-13-32(26)39/h5,8-9,11,13,22-23,25,29,31H,2-4,6-7,10,12,14-21,24H2,1H3,(H,36,41)(H,37,40)/t29-,31-/m0/s1
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7 -11.6n/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: 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 S


(Homo sapiens (Human))
BDBM19581
PNG
((2S)-2-{[5-(4-chlorophenyl)furan-2-yl]formamido}-3...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C29H34ClN3O4/c1-36-24-13-11-23(12-14-24)31-17-18-32-28(34)25(19-20-5-3-2-4-6-20)33-29(35)27-16-15-26(37-27)21-7-9-22(30)10-8-21/h7-16,20,25,31H,2-6,17-19H2,1H3,(H,32,34)(H,33,35)/t25-/m0/s1
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7.10n/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 S


(Homo sapiens (Human))
BDBM19572
PNG
((2S)-2-{[4-(3-chlorophenyl)phenyl]formamido}-3-cyc...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C31H36ClN3O3/c1-38-28-16-14-27(15-17-28)33-18-19-34-31(37)29(20-22-6-3-2-4-7-22)35-30(36)24-12-10-23(11-13-24)25-8-5-9-26(32)21-25/h5,8-17,21-22,29,33H,2-4,6-7,18-20H2,1H3,(H,34,37)(H,35,36)/t29-/m0/s1
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7.40n/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 S


(Homo sapiens (Human))
BDBM19573
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C31H37N3O4/c1-37-26-17-15-25(16-18-26)32-19-20-33-31(36)29(21-23-9-4-2-5-10-23)34-30(35)24-11-8-14-28(22-24)38-27-12-6-3-7-13-27/h3,6-8,11-18,22-23,29,32H,2,4-5,9-10,19-21H2,1H3,(H,33,36)(H,34,35)/t29-/m0/s1
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8n/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 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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8 -11.5n/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))
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 -11.5n/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))
BDBM19603
PNG
((2S)-4-cyclohexyl-N-[(2R,3R)-1-(5-fluoro-2,3-dihyd...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)[C@@H](C)O
Show InChI InChI=1S/C30H40FN3O4/c1-20(35)27(19-34-16-15-22-17-24(31)12-14-28(22)34)33-30(37)26(13-11-21-7-4-3-5-8-21)32-29(36)23-9-6-10-25(18-23)38-2/h6,9-10,12,14,17-18,20-21,26-27,35H,3-5,7-8,11,13,15-16,19H2,1-2H3,(H,32,36)(H,33,37)/t20-,26+,27-/m1/s1
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8 -11.5n/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: 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 S


(Homo sapiens (Human))
BDBM19571
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C31H37N3O3/c1-37-28-18-16-27(17-19-28)32-20-21-33-31(36)29(22-23-8-4-2-5-9-23)34-30(35)26-14-12-25(13-15-26)24-10-6-3-7-11-24/h3,6-7,10-19,23,29,32H,2,4-5,8-9,20-22H2,1H3,(H,33,36)(H,34,35)/t29-/m0/s1
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9.10n/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 S


(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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9.40n/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 S


(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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9.70 -11.4n/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 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 S


(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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11 -11.3n/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: 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 S


(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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11 -11.3n/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 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 S


(Homo sapiens (Human))
BDBM19655
PNG
((2R)-2-(2-cyclopentylethyl)-N-[(2S)-3-methyl-1-{[4...)
Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1
Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-9-11-23(12-10-22)37-27(28,29)30)32-26(35)21(8-7-20-5-3-4-6-20)17-25(34)33-13-15-36-16-14-33/h9-12,19-21,24,31H,3-8,13-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1
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11 -11.3n/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 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 S


(Homo sapiens (Human))
BDBM19726
PNG
((2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-3,3-dimethyl...)
Show SMILES C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C27H41FN4O3/c1-19(17-32-18-27(2,3)22-16-21(28)9-10-24(22)32)29-25(33)23(15-20-7-5-4-6-8-20)30-26(34)31-11-13-35-14-12-31/h9-10,16,19-20,23H,4-8,11-15,17-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,23-/m0/s1
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11 -11.3n/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: 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 S


(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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11 -11.3n/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: 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 S


(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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11 -11.3n/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: 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 S


(Homo sapiens (Human))
BDBM19700
PNG
((2S)-3-cyclohexyl-N-(2-{[4-(trifluoromethoxy)pheny...)
Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C30H31F6N3O4/c31-29(32,33)21-8-4-7-20(18-21)25-13-14-26(42-25)28(41)39-24(17-19-5-2-1-3-6-19)27(40)38-16-15-37-22-9-11-23(12-10-22)43-30(34,35)36/h4,7-14,18-19,24,37H,1-3,5-6,15-17H2,(H,38,40)(H,39,41)/t24-/m0/s1
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11 -11.3n/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: 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 S


(Homo sapiens (Human))
BDBM19634
PNG
((3S)-3-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3-cycloh...)
Show SMILES OC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1
Show InChI InChI=1S/C28H33FN4O4/c29-20-10-11-24-19(15-20)12-13-33(24)17-21(16-26(34)35)30-27(36)23(14-18-6-2-1-3-7-18)32-28-31-22-8-4-5-9-25(22)37-28/h4-5,8-11,15,18,21,23H,1-3,6-7,12-14,16-17H2,(H,30,36)(H,31,32)(H,34,35)/t21-,23-/m0/s1
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12 -11.2n/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: 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 S


(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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12 -11.2n/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 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 S


(Homo sapiens (Human))
BDBM19722
PNG
((2R)-3-(benzylsulfanyl)-2-(morpholin-4-ylcarbonyla...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C25H31F3N4O4S/c1-18(15-29-20-7-9-21(10-8-20)36-25(26,27)28)30-23(33)22(17-37-16-19-5-3-2-4-6-19)31-24(34)32-11-13-35-14-12-32/h2-10,18,22,29H,11-17H2,1H3,(H,30,33)(H,31,34)/t18-,22-/m0/s1
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12 -11.2n/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: 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 S


(Homo sapiens (Human))
BDBM19713
PNG
(arylaminoethyl amide deriv. 27 | oxan-4-yl N-[(1S)...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)OC1CCOCC1
Show InChI InChI=1S/C25H36F3N3O5/c1-17(16-29-19-7-9-21(10-8-19)36-25(26,27)28)30-23(32)22(15-18-5-3-2-4-6-18)31-24(33)35-20-11-13-34-14-12-20/h7-10,17-18,20,22,29H,2-6,11-16H2,1H3,(H,30,32)(H,31,33)/t17-,22-/m0/s1
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12 -11.2n/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: 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 S


(Homo sapiens (Human))
BDBM19712
PNG
((2S)-3-cyclohexyl-2-(oxan-4-ylformamido)-N-[(2S)-1...)
Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1
Show InChI InChI=1S/C25H36F3N3O4/c1-17(16-29-20-7-9-21(10-8-20)35-25(26,27)28)30-24(33)22(15-18-5-3-2-4-6-18)31-23(32)19-11-13-34-14-12-19/h7-10,17-19,22,29H,2-6,11-16H2,1H3,(H,30,33)(H,31,32)/t17-,22-/m0/s1
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12 -11.2n/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: 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 S


(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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13 -11.2n/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 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 S


(Homo sapiens (Human))
BDBM19594
PNG
((2S)-4-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)C(C)C
Show InChI InChI=1S/C31H42FN3O3/c1-21(2)28(20-35-17-16-23-18-25(32)13-15-29(23)35)34-31(37)27(14-12-22-8-5-4-6-9-22)33-30(36)24-10-7-11-26(19-24)38-3/h7,10-11,13,15,18-19,21-22,27-28H,4-6,8-9,12,14,16-17,20H2,1-3H3,(H,33,36)(H,34,37)/t27-,28+/m0/s1
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14 -11.1n/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: 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 S


(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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14 -11.1n/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 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 S


(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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14 -11.1n/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: 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 S


(Homo sapiens (Human))
BDBM19600
PNG
((2S)-N-[(2R,3R)-3-(benzyloxy)-1-(5-fluoro-2,3-dihy...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)[C@@H](C)OCc1ccccc1
Show InChI InChI=1S/C37H46FN3O4/c1-26(45-25-28-12-7-4-8-13-28)34(24-41-21-20-29-22-31(38)17-19-35(29)41)40-37(43)33(18-16-27-10-5-3-6-11-27)39-36(42)30-14-9-15-32(23-30)44-2/h4,7-9,12-15,17,19,22-23,26-27,33-34H,3,5-6,10-11,16,18,20-21,24-25H2,1-2H3,(H,39,42)(H,40,43)/t26-,33+,34-/m1/s1
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15 -11.1n/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: 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 S


(Homo sapiens (Human))
BDBM19626
PNG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
Show SMILES C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1
Show InChI InChI=1S/C29H36ClFN4O2/c1-18(17-35-25-13-12-21(31)15-20(25)16-29(35,2)3)32-27(36)24(14-19-8-5-4-6-9-19)34-28-33-23-11-7-10-22(30)26(23)37-28/h7,10-13,15,18-19,24H,4-6,8-9,14,16-17H2,1-3H3,(H,32,36)(H,33,34)/t18-,24-/m0/s1
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15 -11.1n/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: 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 S


(Homo sapiens (Human))
BDBM19625
PNG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
Show SMILES C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1
Show InChI InChI=1S/C27H32ClFN4O2/c1-17(16-33-13-12-19-15-20(29)10-11-24(19)33)30-26(34)23(14-18-6-3-2-4-7-18)32-27-31-22-9-5-8-21(28)25(22)35-27/h5,8-11,15,17-18,23H,2-4,6-7,12-14,16H2,1H3,(H,30,34)(H,31,32)/t17-,23-/m0/s1
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15 -11.1n/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: 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 S


(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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15 -11.1n/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: 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 S


(Homo sapiens (Human))
BDBM19553
PNG
((2S)-3-(4-chlorophenyl)-N-{2-[(4-methoxyphenyl)ami...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C26H28ClN3O3/c1-18-4-3-5-20(16-18)25(31)30-24(17-19-6-8-21(27)9-7-19)26(32)29-15-14-28-22-10-12-23(33-2)13-11-22/h3-13,16,24,28H,14-15,17H2,1-2H3,(H,29,32)(H,30,31)/t24-/m0/s1
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16 -11.1n/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 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 S


(Homo sapiens (Human))
BDBM19564
PNG
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-met...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cccc(C)c2)cc1
Show InChI InChI=1S/C30H31N3O3/c1-21-6-5-9-25(18-21)29(34)33-28(20-22-10-11-23-7-3-4-8-24(23)19-22)30(35)32-17-16-31-26-12-14-27(36-2)15-13-26/h3-15,18-19,28,31H,16-17,20H2,1-2H3,(H,32,35)(H,33,34)/t28-/m0/s1
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16 -11.1n/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 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 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 -11.1n/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))
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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16 -11.1n/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 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 S


(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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16 -11.1n/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: 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 S


(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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17 -11.0n/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: 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 S


(Homo sapiens (Human))
BDBM19574
PNG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C31H37N3O4/c1-37-26-18-14-25(15-19-26)32-20-21-33-31(36)29(22-23-8-4-2-5-9-23)34-30(35)24-12-16-28(17-13-24)38-27-10-6-3-7-11-27/h3,6-7,10-19,23,29,32H,2,4-5,8-9,20-22H2,1H3,(H,33,36)(H,34,35)/t29-/m0/s1
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17n/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 S


(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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18 -11.0n/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 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
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