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Patent code US9725459

Compile Data Set for Download or QSAR
Found 175 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 K


(Homo sapiens (human))
BDBM331621
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CCc1cc(ccn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C26H30ClN3O4S/c1-2-17-12-16(10-11-28-17)20-8-9-21(35-20)25(32)29-22(15-6-4-3-5-7-15)26(33)30-13-18(27)24-23(30)19(31)14-34-24/h8-12,15,18,22-24H,2-7,13-14H2,1H3,(H,29,32)/t18-,22-,23+,24+/m0/s1
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1n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331540
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccncc1)C1CCCCC1
Show InChI InChI=1S/C24H28ClN3O4S/c25-16-12-28(21-17(29)13-32-22(16)21)24(31)20(15-4-2-1-3-5-15)27-23(30)19-7-6-18(33-19)14-8-10-26-11-9-14/h6-11,15-17,20-22,29H,1-5,12-13H2,(H,27,30)/t16-,17-,20-,21+,22+/m0/s1
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3n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331568
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cc(ccn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H28ClN3O4S/c1-14-11-16(9-10-27-14)19-7-8-20(34-19)24(31)28-21(15-5-3-2-4-6-15)25(32)29-12-17(26)23-22(29)18(30)13-33-23/h7-11,15,17,21-23H,2-6,12-13H2,1H3,(H,28,31)/t17-,21-,22+,23+/m0/s1
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4n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331622
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CCc1cc(ccn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H29ClN4O4S/c1-2-16-10-15(8-9-27-16)19-11-28-24(35-19)23(32)29-20(14-6-4-3-5-7-14)25(33)30-12-17(26)22-21(30)18(31)13-34-22/h8-11,14,17,20-22H,2-7,12-13H2,1H3,(H,29,32)/t17-,20-,21+,22+/m0/s1
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4n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331539
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cccnc1)C1CCCCC1
Show InChI InChI=1S/C24H28ClN3O4S/c25-16-12-28(21-17(29)13-32-22(16)21)24(31)20(14-5-2-1-3-6-14)27-23(30)19-9-8-18(33-19)15-7-4-10-26-11-15/h4,7-11,14,16-17,20-22,29H,1-3,5-6,12-13H2,(H,27,30)/t16-,17-,20-,21+,22+/m0/s1
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5n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331620
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CCc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H29ClN4O4S/c1-2-16-10-15(11-27-29-16)19-8-9-20(35-19)24(32)28-21(14-6-4-3-5-7-14)25(33)30-12-17(26)23-22(30)18(31)13-34-23/h8-11,14,17,21-23H,2-7,12-13H2,1H3,(H,28,32)/t17-,21-,22+,23+/m0/s1
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5n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331566
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cnccc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H25ClFN3O4S/c25-15-11-29(21-17(30)12-33-22(15)21)24(32)20(13-4-2-1-3-5-13)28-23(31)19-7-6-18(34-19)14-8-9-27-10-16(14)26/h6-10,13,15,20-22H,1-5,11-12H2,(H,28,31)/t15-,20-,21+,22+/m0/s1
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5n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331620
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CCc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H29ClN4O4S/c1-2-16-10-15(11-27-29-16)19-8-9-20(35-19)24(32)28-21(14-6-4-3-5-7-14)25(33)30-12-17(26)23-22(30)18(31)13-34-23/h8-11,14,17,21-23H,2-7,12-13H2,1H3,(H,28,32)/t17-,21-,22+,23+/m0/s1
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6n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331591
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES COc1cc(ccn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H28ClN3O5S/c1-33-20-11-15(9-10-27-20)18-7-8-19(35-18)24(31)28-21(14-5-3-2-4-6-14)25(32)29-12-16(26)23-22(29)17(30)13-34-23/h7-11,14,16,21-23H,2-6,12-13H2,1H3,(H,28,31)/t16-,21-,22+,23+/m0/s1
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6n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331609
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cc(cnn1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C26H29ClN4O4S/c27-17-12-31(23-19(32)13-35-24(17)23)26(34)22(15-4-2-1-3-5-15)29-25(33)21-9-8-20(36-21)18-10-16(11-28-30-18)14-6-7-14/h8-11,14-15,17,22-24H,1-7,12-13H2,(H,29,33)/t17-,22-,23+,24+/m0/s1
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7n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331601
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccnc(c1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C27H30ClN3O4S/c28-18-13-31(24-20(32)14-35-25(18)24)27(34)23(16-4-2-1-3-5-16)30-26(33)22-9-8-21(36-22)17-10-11-29-19(12-17)15-6-7-15/h8-12,15-16,18,23-25H,1-7,13-14H2,(H,30,33)/t18-,23-,24+,25+/m0/s1
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7n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331586
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cc(ccn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-15(7-8-26-13)18-10-27-23(34-18)22(31)28-19(14-5-3-2-4-6-14)24(32)29-11-16(25)21-20(29)17(30)12-33-21/h7-10,14,16,19-21H,2-6,11-12H2,1H3,(H,28,31)/t16-,19-,20+,21+/m0/s1
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7n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331618
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ncccc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H28ClN3O4S/c1-14-16(8-5-11-27-14)19-9-10-20(34-19)24(31)28-21(15-6-3-2-4-7-15)25(32)29-12-17(26)23-22(29)18(30)13-33-23/h5,8-11,15,17,21-23H,2-4,6-7,12-13H2,1H3,(H,28,31)/t17-,21-,22+,23+/m0/s1
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7n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331580
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cccnc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-15-11-28(19-16(29)12-32-20(15)19)23(31)18(13-5-2-1-3-6-13)27-21(30)22-26-10-17(33-22)14-7-4-8-25-9-14/h4,7-10,13,15,18-20H,1-3,5-6,11-12H2,(H,27,30)/t15-,18-,19+,20+/m0/s1
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8n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331604
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-15(10-26-28-13)18-7-8-19(34-18)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,27,31)/t16-,20-,21+,22+/m0/s1
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8n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331606
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES COc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O5S/c1-33-19-9-14(10-26-28-19)17-7-8-18(35-17)23(31)27-20(13-5-3-2-4-6-13)24(32)29-11-15(25)22-21(29)16(30)12-34-22/h7-10,13,15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1
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8n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331617
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccnc(c1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C26H29ClN4O4S/c27-17-12-31(22-19(32)13-35-23(17)22)26(34)21(15-4-2-1-3-5-15)30-24(33)25-29-11-20(36-25)16-8-9-28-18(10-16)14-6-7-14/h8-11,14-15,17,21-23H,1-7,12-13H2,(H,30,33)/t17-,21-,22+,23+/m0/s1
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9n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331604
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-15(10-26-28-13)18-7-8-19(34-18)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,27,31)/t16-,20-,21+,22+/m0/s1
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9n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331581
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccccn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-14-11-28(19-16(29)12-32-20(14)19)23(31)18(13-6-2-1-3-7-13)27-21(30)22-26-10-17(33-22)15-8-4-5-9-25-15/h4-5,8-10,13-14,18-20H,1-3,6-7,11-12H2,(H,27,30)/t14-,18-,19+,20+/m0/s1
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9n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331564
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-26-10-9-16(27-13)18-7-8-19(34-18)23(31)28-20(14-5-3-2-4-6-14)24(32)29-11-15(25)22-21(29)17(30)12-33-22/h7-10,14-15,20-22H,2-6,11-12H2,1H3,(H,28,31)/t15-,20-,21+,22+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331584
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccncc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-15-11-28(19-16(29)12-32-20(15)19)23(31)18(14-4-2-1-3-5-14)27-21(30)22-26-10-17(33-22)13-6-8-25-9-7-13/h6-10,14-15,18-20H,1-5,11-12H2,(H,27,30)/t15-,18-,19+,20+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331625
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cnncc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-26-27-10-15(13)18-7-8-19(34-18)23(31)28-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,28,31)/t16-,20-,21+,22+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331565
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ncc(cn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-26-9-15(10-27-13)18-7-8-19(34-18)23(31)28-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,28,31)/t16-,20-,21+,22+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331616
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ncc(-c2ccc(s2)C(=O)N[C@@H](C2CCCCC2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@@H]23)c(C)n1
Show InChI InChI=1S/C25H29ClN4O4S/c1-13-16(10-27-14(2)28-13)19-8-9-20(35-19)24(32)29-21(15-6-4-3-5-7-15)25(33)30-11-17(26)23-22(30)18(31)12-34-23/h8-10,15,17,21-23H,3-7,11-12H2,1-2H3,(H,29,32)/t17-,21-,22+,23+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331585
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cnccc1-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-14-10-29(19-16(30)11-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-21(31)22-27-9-17(34-22)13-6-7-26-8-15(13)25/h6-9,12,14,18-20H,1-5,10-11H2,(H,28,31)/t14-,18-,19+,20+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331543
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cccnn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-5-2-1-3-6-13)26-22(30)18-9-8-17(33-18)15-7-4-10-25-27-15/h4,7-10,13-14,19-21H,1-3,5-6,11-12H2,(H,26,30)/t14-,19-,20+,21+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331575
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1-c1ccnnc1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-14-10-29(19-16(30)11-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-22(31)17-8-15(25)21(34-17)13-6-7-26-27-9-13/h6-9,12,14,18-20H,1-5,10-11H2,(H,28,31)/t14-,18-,19+,20+/m0/s1
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12n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331544
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccncn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-14-10-28(20-16(29)11-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-8-9-25-12-26-15/h6-9,12-14,19-21H,1-5,10-11H2,(H,27,30)/t14-,19-,20+,21+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331552
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Fc1cncc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H25ClFN3O4S/c25-16-11-29(21-17(30)12-33-22(16)21)24(32)20(13-4-2-1-3-5-13)28-23(31)19-7-6-18(34-19)14-8-15(26)10-27-9-14/h6-10,13,16,20-22H,1-5,11-12H2,(H,28,31)/t16-,20-,21+,22+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331608
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CCc1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H29ClN4O4S/c1-2-14-10-17(29-27-11-14)19-8-9-20(35-19)24(32)28-21(15-6-4-3-5-7-15)25(33)30-12-16(26)23-22(30)18(31)13-34-23/h8-11,15-16,21-23H,2-7,12-13H2,1H3,(H,28,32)/t16-,21-,22+,23+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331624
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cc(-c2ccc(s2)C(=O)N[C@@H](C2CCCCC2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@@H]23)c(C)nn1
Show InChI InChI=1S/C25H29ClN4O4S/c1-13-10-16(14(2)29-28-13)19-8-9-20(35-19)24(32)27-21(15-6-4-3-5-7-15)25(33)30-11-17(26)23-22(30)18(31)12-34-23/h8-10,15,17,21-23H,3-7,11-12H2,1-2H3,(H,27,32)/t17-,21-,22+,23+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331577
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ccc(cn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-7-8-15(9-26-13)18-10-27-23(34-18)22(31)28-19(14-5-3-2-4-6-14)24(32)29-11-16(25)21-20(29)17(30)12-33-21/h7-10,14,16,19-21H,2-6,11-12H2,1H3,(H,28,31)/t16-,19-,20+,21+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331563
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1nnc(s1)-c1ccncc1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O4S/c23-14-10-28(17-15(29)11-32-18(14)17)22(31)16(12-4-2-1-3-5-12)25-19(30)21-27-26-20(33-21)13-6-8-24-9-7-13/h6-9,12,14,16-18H,1-5,10-11H2,(H,25,30)/t14-,16-,17+,18+/m0/s1
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US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331583
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cnccn1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O4S/c23-13-10-28(18-15(29)11-32-19(13)18)22(31)17(12-4-2-1-3-5-12)27-20(30)21-26-9-16(33-21)14-8-24-6-7-25-14/h6-9,12-13,17-19H,1-5,10-11H2,(H,27,30)/t13-,17-,18+,19+/m0/s1
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US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331587
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccc(Cl)nc1)C1CCCCC1
Show InChI InChI=1S/C23H24Cl2N4O4S/c24-14-10-29(19-15(30)11-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-21(31)22-27-9-16(34-22)13-6-7-17(25)26-8-13/h6-9,12,14,18-20H,1-5,10-11H2,(H,28,31)/t14-,18-,19+,20+/m0/s1
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US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331538
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccccn1)C1CCCCC1
Show InChI InChI=1S/C24H28ClN3O4S/c25-15-12-28(21-17(29)13-32-22(15)21)24(31)20(14-6-2-1-3-7-14)27-23(30)19-10-9-18(33-19)16-8-4-5-11-26-16/h4-5,8-11,14-15,17,20-22,29H,1-3,6-7,12-13H2,(H,27,30)/t15-,17-,20-,21+,22+/m0/s1
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14n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331541
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cnccn1)C1CCCCC1
Show InChI InChI=1S/C23H27ClN4O4S/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-10-25-8-9-26-15/h6-10,13-14,16,19-21,29H,1-5,11-12H2,(H,27,30)/t14-,16-,19-,20+,21+/m0/s1
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14n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331579
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-16(28-26-10-13)18-7-8-19(34-18)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-15(25)22-21(29)17(30)12-33-22/h7-10,14-15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1
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15n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331608
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CCc1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H29ClN4O4S/c1-2-14-10-17(29-27-11-14)19-8-9-20(35-19)24(32)28-21(15-6-4-3-5-7-15)25(33)30-12-16(26)23-22(30)18(31)13-34-23/h8-11,15-16,21-23H,2-7,12-13H2,1H3,(H,28,32)/t16-,21-,22+,23+/m0/s1
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15n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331572
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1-c1ccncn1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-13-9-29(19-16(30)10-33-20(13)19)23(32)18(12-4-2-1-3-5-12)28-22(31)17-8-14(25)21(34-17)15-6-7-26-11-27-15/h6-8,11-13,18-20H,1-5,9-10H2,(H,28,31)/t13-,18-,19+,20+/m0/s1
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15n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331569
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES COc1ccc(nn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O5S/c1-33-19-10-7-15(27-28-19)17-8-9-18(35-17)23(31)26-20(13-5-3-2-4-6-13)24(32)29-11-14(25)22-21(29)16(30)12-34-22/h7-10,13-14,20-22H,2-6,11-12H2,1H3,(H,26,31)/t14-,20-,21+,22+/m0/s1
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16n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331570
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ccc(nn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-7-8-16(28-27-13)18-9-10-19(34-18)23(31)26-20(14-5-3-2-4-6-14)24(32)29-11-15(25)22-21(29)17(30)12-33-22/h7-10,14-15,20-22H,2-6,11-12H2,1H3,(H,26,31)/t15-,20-,21+,22+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331553
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccc(Cl)nc1)C1CCCCC1
Show InChI InChI=1S/C24H25Cl2N3O4S/c25-15-11-29(21-16(30)12-33-22(15)21)24(32)20(13-4-2-1-3-5-13)28-23(31)18-8-7-17(34-18)14-6-9-19(26)27-10-14/h6-10,13,15,20-22H,1-5,11-12H2,(H,28,31)/t15-,20-,21+,22+/m0/s1
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16n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331615
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Oc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H25ClN4O5S/c24-14-10-28(20-15(29)11-33-21(14)20)23(32)19(12-4-2-1-3-5-12)26-22(31)17-7-6-16(34-17)13-8-18(30)27-25-9-13/h6-9,12,14,19-21H,1-5,10-11H2,(H,26,31)(H,27,30)/t14-,19-,20+,21+/m0/s1
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16n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331619
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ccnnc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-10-26-28-19(13)17-7-8-18(34-17)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-15(25)22-21(29)16(30)12-33-22/h7-10,14-15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331613
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CS(=O)(=O)c1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O6S2/c1-37(33,34)14-9-16(28-26-10-14)18-7-8-19(36-18)23(31)27-20(13-5-3-2-4-6-13)24(32)29-11-15(25)22-21(29)17(30)12-35-22/h7-10,13,15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331545
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccnnc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-15-11-28(20-16(29)12-32-21(15)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)14-8-9-25-26-10-14/h6-10,13,15,19-21H,1-5,11-12H2,(H,27,30)/t15-,19-,20+,21+/m0/s1
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17n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331546
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ncccn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-14-11-28(19-15(29)12-32-20(14)19)23(31)18(13-5-2-1-3-6-13)27-22(30)17-8-7-16(33-17)21-25-9-4-10-26-21/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2,(H,27,30)/t14-,18-,19+,20+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331624
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cc(-c2ccc(s2)C(=O)N[C@@H](C2CCCCC2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@@H]23)c(C)nn1
Show InChI InChI=1S/C25H29ClN4O4S/c1-13-10-16(14(2)29-28-13)19-8-9-20(35-19)24(32)27-21(15-6-4-3-5-7-15)25(33)30-11-17(26)23-22(30)18(31)12-34-23/h8-10,15,17,21-23H,3-7,11-12H2,1-2H3,(H,27,32)/t17-,21-,22+,23+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331610
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cc(cnn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H26ClN5O4S/c1-12-7-14(8-26-28-12)17-9-25-22(34-17)21(31)27-18(13-5-3-2-4-6-13)23(32)29-10-15(24)20-19(29)16(30)11-33-20/h7-9,13,15,18-20H,2-6,10-11H2,1H3,(H,27,31)/t15-,18-,19+,20+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331623
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cc(-c2ccc(s2)C(=O)N[C@@H](C2CCCCC2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@@H]23)c(C)cn1
Show InChI InChI=1S/C26H30ClN3O4S/c1-14-11-28-15(2)10-17(14)20-8-9-21(35-20)25(32)29-22(16-6-4-3-5-7-16)26(33)30-12-18(27)24-23(30)19(31)13-34-24/h8-11,16,18,22-24H,3-7,12-13H2,1-2H3,(H,29,32)/t18-,22-,23+,24+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331605
PNG
(3-(5-(((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahyd...)
Show SMILES [O-][n+]1cccc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H26ClN3O5S/c25-16-12-28(21-17(29)13-33-22(16)21)24(31)20(14-5-2-1-3-6-14)26-23(30)19-9-8-18(34-19)15-7-4-10-27(32)11-15/h4,7-11,14,16,20-22H,1-3,5-6,12-13H2,(H,26,30)/t16-,20-,21+,22+/m0/s1
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US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331598
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccc(nc1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C27H30ClN3O4S/c28-18-13-31(24-20(32)14-35-25(18)24)27(34)23(16-4-2-1-3-5-16)30-26(33)22-11-10-21(36-22)17-8-9-19(29-12-17)15-6-7-15/h8-12,15-16,18,23-25H,1-7,13-14H2,(H,30,33)/t18-,23-,24+,25+/m0/s1
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19n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331574
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cncc(c1)C#N)C1CCCCC1
Show InChI InChI=1S/C25H25ClN4O4S/c26-17-12-30(22-18(31)13-34-23(17)22)25(33)21(15-4-2-1-3-5-15)29-24(32)20-7-6-19(35-20)16-8-14(9-27)10-28-11-16/h6-8,10-11,15,17,21-23H,1-5,12-13H2,(H,29,32)/t17-,21-,22+,23+/m0/s1
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19n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331567
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1nccc(n1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H26ClN5O4S/c1-12-25-8-7-15(27-12)17-9-26-22(34-17)21(31)28-18(13-5-3-2-4-6-13)23(32)29-10-14(24)20-19(29)16(30)11-33-20/h7-9,13-14,18-20H,2-6,10-11H2,1H3,(H,28,31)/t14-,18-,19+,20+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331612
PNG
(4-(2-(((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahyd...)
Show SMILES Cc1cc(cn[n+]1[O-])-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H26ClN5O5S/c1-12-7-14(8-26-29(12)33)17-9-25-22(35-17)21(31)27-18(13-5-3-2-4-6-13)23(32)28-10-15(24)20-19(28)16(30)11-34-20/h7-9,13,15,18-20H,2-6,10-11H2,1H3,(H,27,31)/t15-,18-,19+,20+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331582
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cncc(c1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-15-10-29(19-16(30)11-33-20(15)19)23(32)18(12-4-2-1-3-5-12)28-21(31)22-27-9-17(34-22)13-6-14(25)8-26-7-13/h6-9,12,15,18-20H,1-5,10-11H2,(H,28,31)/t15-,18-,19+,20+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331573
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1ccc(nn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-13-10-29(20-15(30)11-33-21(13)20)23(32)19(12-4-2-1-3-5-12)26-22(31)17-8-7-16(34-17)14-6-9-18(25)28-27-14/h6-9,12-13,19-21H,1-5,10-11H2,(H,26,31)/t13-,19-,20+,21+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331613
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CS(=O)(=O)c1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O6S2/c1-37(33,34)14-9-16(28-26-10-14)18-7-8-19(36-18)23(31)27-20(13-5-3-2-4-6-13)24(32)29-11-15(25)22-21(29)17(30)12-35-22/h7-10,13,15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331589
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1-c1cccnn1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-13-10-29(19-16(30)11-33-20(13)19)23(32)18(12-5-2-1-3-6-12)27-22(31)17-9-14(25)21(34-17)15-7-4-8-26-28-15/h4,7-9,12-13,18-20H,1-3,5-6,10-11H2,(H,27,31)/t13-,18-,19+,20+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331545
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccnnc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-15-11-28(20-16(29)12-32-21(15)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)14-8-9-25-26-10-14/h6-10,13,15,19-21H,1-5,11-12H2,(H,27,30)/t15-,19-,20+,21+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331614
PNG
(3-(5-(((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahyd...)
Show SMILES [O-][n+]1cccc(n1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H25ClN4O5S/c24-14-11-27(20-16(29)12-33-21(14)20)23(31)19(13-5-2-1-3-6-13)25-22(30)18-9-8-17(34-18)15-7-4-10-28(32)26-15/h4,7-10,13-14,19-21H,1-3,5-6,11-12H2,(H,25,30)/t14-,19-,20+,21+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331610
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cc(cnn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H26ClN5O4S/c1-12-7-14(8-26-28-12)17-9-25-22(34-17)21(31)27-18(13-5-3-2-4-6-13)23(32)29-10-15(24)20-19(29)16(30)11-33-20/h7-9,13,15,18-20H,2-6,10-11H2,1H3,(H,27,31)/t15-,18-,19+,20+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331559
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cncnc1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O4S/c23-14-9-28(18-15(29)10-32-19(14)18)22(31)17(12-4-2-1-3-5-12)27-20(30)21-26-8-16(33-21)13-6-24-11-25-7-13/h6-8,11-12,14,17-19H,1-5,9-10H2,(H,27,30)/t14-,17-,18+,19+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331609
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cc(cnn1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C26H29ClN4O4S/c27-17-12-31(23-19(32)13-35-24(17)23)26(34)22(15-4-2-1-3-5-15)29-25(33)21-9-8-20(36-21)18-10-16(11-28-30-18)14-6-7-14/h8-11,14-15,17,22-24H,1-7,12-13H2,(H,29,33)/t17-,22-,23+,24+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331571
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cncnc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-13-9-29(20-15(30)10-33-21(13)20)23(32)18(12-4-2-1-3-5-12)28-22(31)17-7-6-16(34-17)19-14(25)8-26-11-27-19/h6-8,11-13,18,20-21H,1-5,9-10H2,(H,28,31)/t13-,18-,20+,21+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331606
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES COc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O5S/c1-33-19-9-14(10-26-28-19)17-7-8-18(35-17)23(31)27-20(13-5-3-2-4-6-13)24(32)29-11-15(25)22-21(29)16(30)12-34-22/h7-10,13,15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1
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US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331621
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CCc1cc(ccn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C26H30ClN3O4S/c1-2-17-12-16(10-11-28-17)20-8-9-21(35-20)25(32)29-22(15-6-4-3-5-7-15)26(33)30-13-18(27)24-23(30)19(31)14-34-24/h8-12,15,18,22-24H,2-7,13-14H2,1H3,(H,29,32)/t18-,22-,23+,24+/m0/s1
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US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331612
PNG
(4-(2-(((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahyd...)
Show SMILES Cc1cc(cn[n+]1[O-])-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H26ClN5O5S/c1-12-7-14(8-26-29(12)33)17-9-25-22(35-17)21(31)27-18(13-5-3-2-4-6-13)23(32)28-10-15(24)20-19(28)16(30)11-34-20/h7-9,13,15,18-20H,2-6,10-11H2,1H3,(H,27,31)/t15-,18-,19+,20+/m0/s1
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US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331551
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cccnn1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O4S/c23-13-10-28(18-15(29)11-32-19(13)18)22(31)17(12-5-2-1-3-6-12)26-20(30)21-24-9-16(33-21)14-7-4-8-25-27-14/h4,7-9,12-13,17-19H,1-3,5-6,10-11H2,(H,26,30)/t13-,17-,18+,19+/m0/s1
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25n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331576
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ncc(cn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H26ClN5O4S/c1-12-25-7-14(8-26-12)17-9-27-22(34-17)21(31)28-18(13-5-3-2-4-6-13)23(32)29-10-15(24)20-19(29)16(30)11-33-20/h7-9,13,15,18-20H,2-6,10-11H2,1H3,(H,28,31)/t15-,18-,19+,20+/m0/s1
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26n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331605
PNG
(3-(5-(((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahyd...)
Show SMILES [O-][n+]1cccc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H26ClN3O5S/c25-16-12-28(21-17(29)13-33-22(16)21)24(31)20(14-5-2-1-3-6-14)26-23(30)19-9-8-18(34-19)15-7-4-10-27(32)11-15/h4,7-11,14,16,20-22H,1-3,5-6,12-13H2,(H,26,30)/t16-,20-,21+,22+/m0/s1
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27n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331599
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccc(nc1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C26H29ClN4O4S/c27-17-12-31(22-19(32)13-35-23(17)22)26(34)21(15-4-2-1-3-5-15)30-24(33)25-29-11-20(36-25)16-8-9-18(28-10-16)14-6-7-14/h8-11,14-15,17,21-23H,1-7,12-13H2,(H,30,33)/t17-,21-,22+,23+/m0/s1
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29n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331590
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cnc(nc1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C26H29ClN4O4S/c27-17-12-31(22-18(32)13-35-23(17)22)26(34)21(14-4-2-1-3-5-14)30-25(33)20-9-8-19(36-20)16-10-28-24(29-11-16)15-6-7-15/h8-11,14-15,17,21-23H,1-7,12-13H2,(H,30,33)/t17-,21-,22+,23+/m0/s1
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29n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331550
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cnc(s1)-c1cccnc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-15-11-28(19-16(29)12-32-20(15)19)23(31)18(13-5-2-1-3-6-13)27-21(30)17-10-26-22(33-17)14-7-4-8-25-9-14/h4,7-10,13,15,18-20H,1-3,5-6,11-12H2,(H,27,30)/t15-,18-,19+,20+/m0/s1
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29n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331611
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CS(=O)c1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O5S2/c1-36(33)14-9-16(28-26-10-14)18-7-8-19(35-18)23(31)27-20(13-5-3-2-4-6-13)24(32)29-11-15(25)22-21(29)17(30)12-34-22/h7-10,13,15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+,36?/m0/s1
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29n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331611
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CS(=O)c1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O5S2/c1-36(33)14-9-16(28-26-10-14)18-7-8-19(35-18)23(31)27-20(13-5-3-2-4-6-13)24(32)29-11-15(25)22-21(29)17(30)12-34-22/h7-10,13,15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+,36?/m0/s1
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30n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331542
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cncnc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-15-10-28(20-16(29)11-32-21(15)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)14-8-25-12-26-9-14/h6-9,12-13,15,19-21H,1-5,10-11H2,(H,27,30)/t15-,19-,20+,21+/m0/s1
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31n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331554
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccnnc1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O4S/c23-14-10-28(18-15(29)11-32-19(14)18)22(31)17(12-4-2-1-3-5-12)27-20(30)21-24-9-16(33-21)13-6-7-25-26-8-13/h6-9,12,14,17-19H,1-5,10-11H2,(H,27,30)/t14-,17-,18+,19+/m0/s1
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31n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331593
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1nnccc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-15(9-10-26-28-13)18-7-8-19(34-18)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,27,31)/t16-,20-,21+,22+/m0/s1
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34n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331588
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12)-c1cncnc1
Show InChI InChI=1S/C23H24ClFN4O4S/c24-14-9-29(19-16(30)10-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-22(31)21-15(25)6-17(34-21)13-7-26-11-27-8-13/h6-8,11-12,14,18-20H,1-5,9-10H2,(H,28,31)/t14-,18-,19+,20+/m0/s1
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34n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331601
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccnc(c1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C27H30ClN3O4S/c28-18-13-31(24-20(32)14-35-25(18)24)27(34)23(16-4-2-1-3-5-16)30-26(33)22-9-8-21(36-22)17-10-11-29-19(12-17)15-6-7-15/h8-12,15-16,18,23-25H,1-7,13-14H2,(H,30,33)/t18-,23-,24+,25+/m0/s1
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34n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331558
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cc1nc(sc1C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12)-c1cnccn1
Show InChI InChI=1S/C23H26ClN5O4S/c1-12-20(34-22(27-12)15-9-25-7-8-26-15)21(31)28-17(13-5-3-2-4-6-13)23(32)29-10-14(24)19-18(29)16(30)11-33-19/h7-9,13-14,17-19H,2-6,10-11H2,1H3,(H,28,31)/t14-,17-,18+,19+/m0/s1
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37n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331554
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccnnc1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O4S/c23-14-10-28(18-15(29)11-32-19(14)18)22(31)17(12-4-2-1-3-5-12)27-20(30)21-24-9-16(33-21)13-6-7-25-26-8-13/h6-9,12,14,17-19H,1-5,10-11H2,(H,27,30)/t14-,17-,18+,19+/m0/s1
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37n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331626
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-c1cn[nH]c1)C1CCCCC1
Show InChI InChI=1S/C24H27ClN4O4/c25-18-12-29(21-19(30)13-33-22(18)21)24(32)20(14-5-2-1-3-6-14)28-23(31)16-8-4-7-15(9-16)17-10-26-27-11-17/h4,7-11,14,18,20-22H,1-3,5-6,12-13H2,(H,26,27)(H,28,31)/t18-,20-,21+,22+/m0/s1
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38n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331607
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES COc1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O5S/c1-33-14-9-16(28-26-10-14)18-7-8-19(35-18)23(31)27-20(13-5-3-2-4-6-13)24(32)29-11-15(25)22-21(29)17(30)12-34-22/h7-10,13,15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1
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39n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331592
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cnc(nc1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C25H28ClN5O4S/c26-16-11-31(20-17(32)12-35-21(16)20)25(34)19(13-4-2-1-3-5-13)30-23(33)24-29-10-18(36-24)15-8-27-22(28-9-15)14-6-7-14/h8-10,13-14,16,19-21H,1-7,11-12H2,(H,30,33)/t16-,19-,20+,21+/m0/s1
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42n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331615
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Oc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H25ClN4O5S/c24-14-10-28(20-15(29)11-33-21(14)20)23(32)19(12-4-2-1-3-5-12)26-22(31)17-7-6-16(34-17)13-8-18(30)27-25-9-13/h6-9,12,14,19-21H,1-5,10-11H2,(H,26,31)(H,27,30)/t14-,19-,20+,21+/m0/s1
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42n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331602
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES FC(F)(F)c1ncc(cn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H23ClF3N5O4S/c24-13-9-32(17-14(33)10-36-18(13)17)21(35)16(11-4-2-1-3-5-11)31-19(34)20-28-8-15(37-20)12-6-29-22(30-7-12)23(25,26)27/h6-8,11,13,16-18H,1-5,9-10H2,(H,31,34)/t13-,16-,17+,18+/m0/s1
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42n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331561
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccncn1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O4S/c23-13-9-28(18-15(29)10-32-19(13)18)22(31)17(12-4-2-1-3-5-12)27-20(30)21-25-8-16(33-21)14-6-7-24-11-26-14/h6-8,11-13,17-19H,1-5,9-10H2,(H,27,30)/t13-,17-,18+,19+/m0/s1
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48n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331542
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cncnc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-15-10-28(20-16(29)11-32-21(15)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)14-8-25-12-26-9-14/h6-9,12-13,15,19-21H,1-5,10-11H2,(H,27,30)/t15-,19-,20+,21+/m0/s1
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48n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331549
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccncc1)C1CCCCC1
Show InChI InChI=1S/C24H26ClN3O5/c25-16-12-28(21-17(29)13-32-22(16)21)24(31)20(15-4-2-1-3-5-15)27-23(30)19-7-6-18(33-19)14-8-10-26-11-9-14/h6-11,15-16,20-22H,1-5,12-13H2,(H,27,30)/t16-,20-,21+,22+/m0/s1
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50n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331593
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1nnccc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-15(9-10-26-28-13)18-7-8-19(34-18)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,27,31)/t16-,20-,21+,22+/m0/s1
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51n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331547
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccnc1)C1CCCCC1
Show InChI InChI=1S/C24H26ClN3O5/c25-16-12-28(21-17(29)13-32-22(16)21)24(31)20(14-5-2-1-3-6-14)27-23(30)19-9-8-18(33-19)15-7-4-10-26-11-15/h4,7-11,14,16,20-22H,1-3,5-6,12-13H2,(H,27,30)/t16-,20-,21+,22+/m0/s1
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54n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331607
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES COc1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O5S/c1-33-14-9-16(28-26-10-14)18-7-8-19(35-18)23(31)27-20(13-5-3-2-4-6-13)24(32)29-11-15(25)22-21(29)17(30)12-34-22/h7-10,13,15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1
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55n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331614
PNG
(3-(5-(((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahyd...)
Show SMILES [O-][n+]1cccc(n1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H25ClN4O5S/c24-14-11-27(20-16(29)12-33-21(14)20)23(31)19(13-5-2-1-3-6-13)25-22(30)18-9-8-17(34-18)15-7-4-10-28(32)26-15/h4,7-10,13-14,19-21H,1-3,5-6,11-12H2,(H,25,30)/t14-,19-,20+,21+/m0/s1
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56n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331544
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccncn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-14-10-28(20-16(29)11-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-8-9-25-12-26-15/h6-9,12-14,19-21H,1-5,10-11H2,(H,27,30)/t14-,19-,20+,21+/m0/s1
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56n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331597
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES FC(F)(F)c1ccc(cn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H25ClF3N3O4S/c26-15-11-32(21-16(33)12-36-22(15)21)24(35)20(13-4-2-1-3-5-13)31-23(34)18-8-7-17(37-18)14-6-9-19(30-10-14)25(27,28)29/h6-10,13,15,20-22H,1-5,11-12H2,(H,31,34)/t15-,20-,21+,22+/m0/s1
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58n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331622
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CCc1cc(ccn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H29ClN4O4S/c1-2-16-10-15(8-9-27-16)19-11-28-24(35-19)23(32)29-20(14-6-4-3-5-7-14)25(33)30-12-17(26)22-21(30)18(31)13-34-22/h8-11,14,17,20-22H,2-7,12-13H2,1H3,(H,29,32)/t17-,20-,21+,22+/m0/s1
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59n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331543
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cccnn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-5-2-1-3-6-13)26-22(30)18-9-8-17(33-18)15-7-4-10-25-27-15/h4,7-10,13-14,19-21H,1-3,5-6,11-12H2,(H,26,30)/t14-,19-,20+,21+/m0/s1
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60n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331559
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cncnc1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O4S/c23-14-9-28(18-15(29)10-32-19(14)18)22(31)17(12-4-2-1-3-5-12)27-20(30)21-26-8-16(33-21)13-6-24-11-25-7-13/h6-8,11-12,14,17-19H,1-5,9-10H2,(H,27,30)/t14-,17-,18+,19+/m0/s1
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61n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331603
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES FC(F)(F)c1ccc(cn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H24ClF3N4O4S/c25-14-10-32(19-15(33)11-36-20(14)19)23(35)18(12-4-2-1-3-5-12)31-21(34)22-30-9-16(37-22)13-6-7-17(29-8-13)24(26,27)28/h6-9,12,14,18-20H,1-5,10-11H2,(H,31,34)/t14-,18-,19+,20+/m0/s1
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65n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331579
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cnnc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-16(28-26-10-13)18-7-8-19(34-18)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-15(25)22-21(29)17(30)12-33-22/h7-10,14-15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1
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70n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331590
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cnc(nc1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C26H29ClN4O4S/c27-17-12-31(22-18(32)13-35-23(17)22)26(34)21(14-4-2-1-3-5-14)30-25(33)20-9-8-19(36-20)16-10-28-24(29-11-16)15-6-7-15/h8-11,14-15,17,21-23H,1-7,12-13H2,(H,30,33)/t17-,21-,22+,23+/m0/s1
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70n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331565
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ncc(cn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-26-9-15(10-27-13)18-7-8-19(34-18)23(31)28-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,28,31)/t16-,20-,21+,22+/m0/s1
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72n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331625
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cnncc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-26-27-10-15(13)18-7-8-19(34-18)23(31)28-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,28,31)/t16-,20-,21+,22+/m0/s1
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73n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331555
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccnnc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O5/c24-15-11-28(20-16(29)12-32-21(15)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)14-8-9-25-26-10-14/h6-10,13,15,19-21H,1-5,11-12H2,(H,27,30)/t15-,19-,20+,21+/m0/s1
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74n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331596
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES FC(F)(F)c1ncc(cn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H24ClF3N4O4S/c25-14-10-32(19-15(33)11-36-20(14)19)22(35)18(12-4-2-1-3-5-12)31-21(34)17-7-6-16(37-17)13-8-29-23(30-9-13)24(26,27)28/h6-9,12,14,18-20H,1-5,10-11H2,(H,31,34)/t14-,18-,19+,20+/m0/s1
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76n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331568
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cc(ccn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H28ClN3O4S/c1-14-11-16(9-10-27-14)19-7-8-20(34-19)24(31)28-21(15-5-3-2-4-6-15)25(32)29-12-17(26)23-22(29)18(30)13-33-23/h7-11,15,17,21-23H,2-6,12-13H2,1H3,(H,28,31)/t17-,21-,22+,23+/m0/s1
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86n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331548
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1cncnc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O5/c24-15-10-28(20-16(29)11-32-21(15)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)14-8-25-12-26-9-14/h6-9,12-13,15,19-21H,1-5,10-11H2,(H,27,30)/t15-,19-,20+,21+/m0/s1
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87n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331591
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES COc1cc(ccn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H28ClN3O5S/c1-33-20-11-15(9-10-27-20)18-7-8-19(35-18)24(31)28-21(14-5-3-2-4-6-14)25(32)29-12-16(26)23-22(29)17(30)13-34-23/h7-11,14,16,21-23H,2-6,12-13H2,1H3,(H,28,31)/t16-,21-,22+,23+/m0/s1
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92n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331555
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccnnc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O5/c24-15-11-28(20-16(29)12-32-21(15)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)14-8-9-25-26-10-14/h6-10,13,15,19-21H,1-5,11-12H2,(H,27,30)/t15-,19-,20+,21+/m0/s1
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93n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331548
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1cncnc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O5/c24-15-10-28(20-16(29)11-32-21(15)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)14-8-25-12-26-9-14/h6-9,12-13,15,19-21H,1-5,10-11H2,(H,27,30)/t15-,19-,20+,21+/m0/s1
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99n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331540
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccncc1)C1CCCCC1
Show InChI InChI=1S/C24H28ClN3O4S/c25-16-12-28(21-17(29)13-32-22(16)21)24(31)20(15-4-2-1-3-5-15)27-23(30)19-7-6-18(33-19)14-8-10-26-11-9-14/h6-11,15-17,20-22,29H,1-5,12-13H2,(H,27,30)/t16-,17-,20-,21+,22+/m0/s1
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103n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331595
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12)-c1ccnnc1
Show InChI InChI=1S/C23H24ClFN4O4S/c24-14-10-29(19-16(30)11-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-22(31)21-15(25)8-17(34-21)13-6-7-26-27-9-13/h6-9,12,14,18-20H,1-5,10-11H2,(H,28,31)/t14-,18-,19+,20+/m0/s1
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104n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331539
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cccnc1)C1CCCCC1
Show InChI InChI=1S/C24H28ClN3O4S/c25-16-12-28(21-17(29)13-32-22(16)21)24(31)20(14-5-2-1-3-6-14)27-23(30)19-9-8-18(33-19)15-7-4-10-26-11-15/h4,7-11,14,16-17,20-22,29H,1-3,5-6,12-13H2,(H,27,30)/t16-,17-,20-,21+,22+/m0/s1
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115n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331594
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12)-c1cccnn1
Show InChI InChI=1S/C23H24ClFN4O4S/c24-13-10-29(19-16(30)11-33-20(13)19)23(32)18(12-5-2-1-3-6-12)27-22(31)21-14(25)9-17(34-21)15-7-4-8-26-28-15/h4,7-9,12-13,18-20H,1-3,5-6,10-11H2,(H,27,31)/t13-,18-,19+,20+/m0/s1
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118n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331617
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccnc(c1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C26H29ClN4O4S/c27-17-12-31(22-19(32)13-35-23(17)22)26(34)21(15-4-2-1-3-5-15)30-24(33)25-29-11-20(36-25)16-8-9-28-18(10-16)14-6-7-14/h8-11,14-15,17,21-23H,1-7,12-13H2,(H,30,33)/t17-,21-,22+,23+/m0/s1
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129n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331616
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ncc(-c2ccc(s2)C(=O)N[C@@H](C2CCCCC2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@@H]23)c(C)n1
Show InChI InChI=1S/C25H29ClN4O4S/c1-13-16(10-27-14(2)28-13)19-8-9-20(35-19)24(32)29-21(15-6-4-3-5-7-15)25(33)30-11-17(26)23-22(30)18(31)12-34-23/h8-10,15,17,21-23H,3-7,11-12H2,1-2H3,(H,29,32)/t17-,21-,22+,23+/m0/s1
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133n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331576
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ncc(cn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H26ClN5O4S/c1-12-25-7-14(8-26-12)17-9-27-22(34-17)21(31)28-18(13-5-3-2-4-6-13)23(32)29-10-15(24)20-19(29)16(30)11-33-20/h7-9,13,15,18-20H,2-6,10-11H2,1H3,(H,28,31)/t15-,18-,19+,20+/m0/s1
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144n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331626
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-c1cn[nH]c1)C1CCCCC1
Show InChI InChI=1S/C24H27ClN4O4/c25-18-12-29(21-19(30)13-33-22(18)21)24(32)20(14-5-2-1-3-6-14)28-23(31)16-8-4-7-15(9-16)17-10-26-27-11-17/h4,7-11,14,18,20-22H,1-3,5-6,12-13H2,(H,26,27)(H,28,31)/t18-,20-,21+,22+/m0/s1
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146n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331592
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cnc(nc1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C25H28ClN5O4S/c26-16-11-31(20-17(32)12-35-21(16)20)25(34)19(13-4-2-1-3-5-13)30-23(33)24-29-10-18(36-24)15-8-27-22(28-9-15)14-6-7-14/h8-10,13-14,16,19-21H,1-7,11-12H2,(H,30,33)/t16-,19-,20+,21+/m0/s1
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150n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331560
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1cnccn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O5/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-10-25-8-9-26-15/h6-10,13-14,19-21H,1-5,11-12H2,(H,27,30)/t14-,19-,20+,21+/m0/s1
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153n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331570
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ccc(nn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-7-8-16(28-27-13)18-9-10-19(34-18)23(31)26-20(14-5-3-2-4-6-14)24(32)29-11-15(25)22-21(29)17(30)12-33-22/h7-10,14-15,20-22H,2-6,11-12H2,1H3,(H,26,31)/t15-,20-,21+,22+/m0/s1
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172n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331586
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cc(ccn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-15(7-8-26-13)18-10-27-23(34-18)22(31)28-19(14-5-3-2-4-6-14)24(32)29-11-16(25)21-20(29)17(30)12-33-21/h7-10,14,16,19-21H,2-6,11-12H2,1H3,(H,28,31)/t16-,19-,20+,21+/m0/s1
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173n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331541
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cnccn1)C1CCCCC1
Show InChI InChI=1S/C23H27ClN4O4S/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-10-25-8-9-26-15/h6-10,13-14,16,19-21,29H,1-5,11-12H2,(H,27,30)/t14-,16-,19-,20+,21+/m0/s1
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184n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331551
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cccnn1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O4S/c23-13-10-28(18-15(29)11-32-19(13)18)22(31)17(12-5-2-1-3-6-12)26-20(30)21-24-9-16(33-21)14-7-4-8-25-27-14/h4,7-9,12-13,17-19H,1-3,5-6,10-11H2,(H,26,30)/t13-,17-,18+,19+/m0/s1
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193n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331602
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES FC(F)(F)c1ncc(cn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H23ClF3N5O4S/c24-13-9-32(17-14(33)10-36-18(13)17)21(35)16(11-4-2-1-3-5-11)31-19(34)20-28-8-15(37-20)12-6-29-22(30-7-12)23(25,26)27/h6-8,11,13,16-18H,1-5,9-10H2,(H,31,34)/t13-,16-,17+,18+/m0/s1
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198n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331587
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccc(Cl)nc1)C1CCCCC1
Show InChI InChI=1S/C23H24Cl2N4O4S/c24-14-10-29(19-15(30)11-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-21(31)22-27-9-16(34-22)13-6-7-17(25)26-8-13/h6-9,12,14,18-20H,1-5,10-11H2,(H,28,31)/t14-,18-,19+,20+/m0/s1
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203n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331573
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1ccc(nn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-13-10-29(20-15(30)11-33-21(13)20)23(32)19(12-4-2-1-3-5-12)26-22(31)17-8-7-16(34-17)14-6-9-18(25)28-27-14/h6-9,12-13,19-21H,1-5,10-11H2,(H,26,31)/t13-,19-,20+,21+/m0/s1
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213n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331561
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccncn1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O4S/c23-13-9-28(18-15(29)10-32-19(13)18)22(31)17(12-4-2-1-3-5-12)27-20(30)21-25-8-16(33-21)14-6-7-24-11-26-14/h6-8,11-13,17-19H,1-5,9-10H2,(H,27,30)/t13-,17-,18+,19+/m0/s1
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220n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331582
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cncc(c1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-15-10-29(19-16(30)11-33-20(15)19)23(32)18(12-4-2-1-3-5-12)28-21(31)22-27-9-17(34-22)13-6-14(25)8-26-7-13/h6-9,12,15,18-20H,1-5,10-11H2,(H,28,31)/t15-,18-,19+,20+/m0/s1
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221n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331574
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cncc(c1)C#N)C1CCCCC1
Show InChI InChI=1S/C25H25ClN4O4S/c26-17-12-30(22-18(31)13-34-23(17)22)25(33)21(15-4-2-1-3-5-15)29-24(32)20-7-6-19(35-20)16-8-14(9-27)10-28-11-16/h6-8,10-11,15,17,21-23H,1-5,12-13H2,(H,29,32)/t17-,21-,22+,23+/m0/s1
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225n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331556
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccnn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O5/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-5-2-1-3-6-13)26-22(30)18-9-8-17(33-18)15-7-4-10-25-27-15/h4,7-10,13-14,19-21H,1-3,5-6,11-12H2,(H,26,30)/t14-,19-,20+,21+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331595
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12)-c1ccnnc1
Show InChI InChI=1S/C23H24ClFN4O4S/c24-14-10-29(19-16(30)11-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-22(31)21-15(25)8-17(34-21)13-6-7-26-27-9-13/h6-9,12,14,18-20H,1-5,10-11H2,(H,28,31)/t14-,18-,19+,20+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331564
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-26-10-9-16(27-13)18-7-8-19(34-18)23(31)28-20(14-5-3-2-4-6-14)24(32)29-11-15(25)22-21(29)17(30)12-33-22/h7-10,14-15,20-22H,2-6,11-12H2,1H3,(H,28,31)/t15-,20-,21+,22+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331583
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cnccn1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O4S/c23-13-10-28(18-15(29)11-32-19(13)18)22(31)17(12-4-2-1-3-5-12)27-20(30)21-26-9-16(33-21)14-8-24-6-7-25-14/h6-9,12-13,17-19H,1-5,10-11H2,(H,27,30)/t13-,17-,18+,19+/m0/s1
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242n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331578
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cncc(c1)C#N)C1CCCCC1
Show InChI InChI=1S/C24H24ClN5O4S/c25-16-11-30(20-17(31)12-34-21(16)20)24(33)19(14-4-2-1-3-5-14)29-22(32)23-28-10-18(35-23)15-6-13(7-26)8-27-9-15/h6,8-10,14,16,19-21H,1-5,11-12H2,(H,29,32)/t16-,19-,20+,21+/m0/s1
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243n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331552
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Fc1cncc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H25ClFN3O4S/c25-16-11-29(21-17(30)12-33-22(16)21)24(32)20(13-4-2-1-3-5-13)28-23(31)19-7-6-18(34-19)14-8-15(26)10-27-9-14/h6-10,13,16,20-22H,1-5,11-12H2,(H,28,31)/t16-,20-,21+,22+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331562
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccncn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O5/c24-14-10-28(20-16(29)11-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-8-9-25-12-26-15/h6-9,12-14,19-21H,1-5,10-11H2,(H,27,30)/t14-,19-,20+,21+/m0/s1
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US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331580
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cccnc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-15-11-28(19-16(29)12-32-20(15)19)23(31)18(13-5-2-1-3-6-13)27-21(30)22-26-10-17(33-22)14-7-4-8-25-9-14/h4,7-10,13,15,18-20H,1-3,5-6,11-12H2,(H,27,30)/t15-,18-,19+,20+/m0/s1
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262n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331557
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cnc(o1)-c1ccnnc1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O5/c23-14-10-28(18-15(29)11-32-19(14)18)22(31)17(12-4-2-1-3-5-12)27-20(30)16-9-24-21(33-16)13-6-7-25-26-8-13/h6-9,12,14,17-19H,1-5,10-11H2,(H,27,30)/t14-,17-,18+,19+/m0/s1
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278n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331618
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ncccc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H28ClN3O4S/c1-14-16(8-5-11-27-14)19-9-10-20(34-19)24(31)28-21(15-6-3-2-4-7-15)25(32)29-12-17(26)23-22(29)18(30)13-33-23/h5,8-11,15,17,21-23H,2-4,6-7,12-13H2,1H3,(H,28,31)/t17-,21-,22+,23+/m0/s1
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296n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331596
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES FC(F)(F)c1ncc(cn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H24ClF3N4O4S/c25-14-10-32(19-15(33)11-36-20(14)19)22(35)18(12-4-2-1-3-5-12)31-21(34)17-7-6-16(37-17)13-8-29-23(30-9-13)24(26,27)28/h6-9,12,14,18-20H,1-5,10-11H2,(H,31,34)/t14-,18-,19+,20+/m0/s1
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302n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331588
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12)-c1cncnc1
Show InChI InChI=1S/C23H24ClFN4O4S/c24-14-9-29(19-16(30)10-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-22(31)21-15(25)6-17(34-21)13-7-26-11-27-8-13/h6-8,11-12,14,18-20H,1-5,9-10H2,(H,28,31)/t14-,18-,19+,20+/m0/s1
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302n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331567
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1nccc(n1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H26ClN5O4S/c1-12-25-8-7-15(27-12)17-9-26-22(34-17)21(31)28-18(13-5-3-2-4-6-13)23(32)29-10-14(24)20-19(29)16(30)11-33-20/h7-9,13-14,18-20H,2-6,10-11H2,1H3,(H,28,31)/t14-,18-,19+,20+/m0/s1
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317n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331623
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1cc(-c2ccc(s2)C(=O)N[C@@H](C2CCCCC2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@@H]23)c(C)cn1
Show InChI InChI=1S/C26H30ClN3O4S/c1-14-11-28-15(2)10-17(14)20-8-9-21(35-20)25(32)29-22(16-6-4-3-5-7-16)26(33)30-12-18(27)24-23(30)19(31)13-34-24/h8-11,16,18,22-24H,3-7,12-13H2,1-2H3,(H,29,32)/t18-,22-,23+,24+/m0/s1
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335n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331569
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES COc1ccc(nn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O5S/c1-33-19-10-7-15(27-28-19)17-8-9-18(35-17)23(31)26-20(13-5-3-2-4-6-13)24(32)29-11-14(25)22-21(29)16(30)12-34-22/h7-10,13-14,20-22H,2-6,11-12H2,1H3,(H,26,31)/t14-,20-,21+,22+/m0/s1
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344n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331553
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccc(Cl)nc1)C1CCCCC1
Show InChI InChI=1S/C24H25Cl2N3O4S/c25-15-11-29(21-16(30)12-33-22(15)21)24(32)20(13-4-2-1-3-5-13)28-23(31)18-8-7-17(34-18)14-6-9-19(26)27-10-14/h6-10,13,15,20-22H,1-5,11-12H2,(H,28,31)/t15-,20-,21+,22+/m0/s1
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347n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331577
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ccc(cn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-7-8-15(9-26-13)18-10-27-23(34-18)22(31)28-19(14-5-3-2-4-6-14)24(32)29-11-16(25)21-20(29)17(30)12-33-21/h7-10,14,16,19-21H,2-6,11-12H2,1H3,(H,28,31)/t16-,19-,20+,21+/m0/s1
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356n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331619
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cc1ccnnc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-10-26-28-19(13)17-7-8-18(34-17)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-15(25)22-21(29)16(30)12-33-22/h7-10,14-15,20-22H,2-6,11-12H2,1H3,(H,27,31)/t15-,20-,21+,22+/m0/s1
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358n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331584
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccncc1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-15-11-28(19-16(29)12-32-20(15)19)23(31)18(14-4-2-1-3-5-14)27-21(30)22-26-10-17(33-22)13-6-8-25-9-7-13/h6-10,14-15,18-20H,1-5,11-12H2,(H,27,30)/t15-,18-,19+,20+/m0/s1
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376n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331603
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES FC(F)(F)c1ccc(cn1)-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H24ClF3N4O4S/c25-14-10-32(19-15(33)11-36-20(14)19)23(35)18(12-4-2-1-3-5-12)31-21(34)22-30-9-16(37-22)13-6-7-17(29-8-13)24(26,27)28/h6-9,12,14,18-20H,1-5,10-11H2,(H,31,34)/t14-,18-,19+,20+/m0/s1
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383n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331572
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1-c1ccncn1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-13-9-29(19-16(30)10-33-20(13)19)23(32)18(12-4-2-1-3-5-12)28-22(31)17-8-14(25)21(34-17)15-6-7-26-11-27-15/h6-8,11-13,18-20H,1-5,9-10H2,(H,28,31)/t13-,18-,19+,20+/m0/s1
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401n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331538
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccccn1)C1CCCCC1
Show InChI InChI=1S/C24H28ClN3O4S/c25-15-12-28(21-17(29)13-32-22(15)21)24(31)20(14-6-2-1-3-7-14)27-23(30)19-10-9-18(33-19)16-8-4-5-11-26-16/h4-5,8-11,14-15,17,20-22,29H,1-3,6-7,12-13H2,(H,27,30)/t15-,17-,20-,21+,22+/m0/s1
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402n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331581
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccccn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-14-11-28(19-16(29)12-32-20(14)19)23(31)18(13-6-2-1-3-7-13)27-21(30)22-26-10-17(33-22)15-8-4-5-9-25-15/h4-5,8-10,13-14,18-20H,1-3,6-7,11-12H2,(H,27,30)/t14-,18-,19+,20+/m0/s1
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413n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331566
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cnccc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H25ClFN3O4S/c25-15-11-29(21-17(30)12-33-22(15)21)24(32)20(13-4-2-1-3-5-13)28-23(31)19-7-6-18(34-19)14-8-9-27-10-16(14)26/h6-10,13,15,20-22H,1-5,11-12H2,(H,28,31)/t15-,20-,21+,22+/m0/s1
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440n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331575
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1-c1ccnnc1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-14-10-29(19-16(30)11-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-22(31)17-8-15(25)21(34-17)13-6-7-26-27-9-13/h6-9,12,14,18-20H,1-5,10-11H2,(H,28,31)/t14-,18-,19+,20+/m0/s1
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453n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331571
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cncnc1-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-13-9-29(20-15(30)10-33-21(13)20)23(32)18(12-4-2-1-3-5-12)28-22(31)17-7-6-16(34-17)19-14(25)8-26-11-27-19/h6-8,11-13,18,20-21H,1-5,9-10H2,(H,28,31)/t13-,18-,20+,21+/m0/s1
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469n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331549
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccncc1)C1CCCCC1
Show InChI InChI=1S/C24H26ClN3O5/c25-16-12-28(21-17(29)13-32-22(16)21)24(31)20(15-4-2-1-3-5-15)27-23(30)19-7-6-18(33-19)14-8-10-26-11-9-14/h6-11,15-16,20-22H,1-5,12-13H2,(H,27,30)/t16-,20-,21+,22+/m0/s1
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521n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331598
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccc(nc1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C27H30ClN3O4S/c28-18-13-31(24-20(32)14-35-25(18)24)27(34)23(16-4-2-1-3-5-16)30-26(33)22-11-10-21(36-22)17-8-9-19(29-12-17)15-6-7-15/h8-12,15-16,18,23-25H,1-7,13-14H2,(H,30,33)/t18-,23-,24+,25+/m0/s1
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525n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331557
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cnc(o1)-c1ccnnc1)C1CCCCC1
Show InChI InChI=1S/C22H24ClN5O5/c23-14-10-28(18-15(29)11-32-19(14)18)22(31)17(12-4-2-1-3-5-12)27-20(30)16-9-24-21(33-16)13-6-7-25-26-8-13/h6-9,12,14,17-19H,1-5,10-11H2,(H,27,30)/t14-,17-,18+,19+/m0/s1
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527n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331589
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1-c1cccnn1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-13-10-29(19-16(30)11-33-20(13)19)23(32)18(12-5-2-1-3-6-12)27-22(31)17-9-14(25)21(34-17)15-7-4-8-26-28-15/h4,7-9,12-13,18-20H,1-3,5-6,10-11H2,(H,27,31)/t13-,18-,19+,20+/m0/s1
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528n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM331600
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12)-c1cccnc1
Show InChI InChI=1S/C24H25ClFN3O4S/c25-15-11-29(20-17(30)12-33-21(15)20)24(32)19(13-5-2-1-3-6-13)28-23(31)22-16(26)9-18(34-22)14-7-4-8-27-10-14/h4,7-10,13,15,19-21H,1-3,5-6,11-12H2,(H,28,31)/t15-,19-,20+,21+/m0/s1
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551n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331597
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES FC(F)(F)c1ccc(cn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H25ClF3N3O4S/c26-15-11-32(21-16(33)12-36-22(15)21)24(35)20(13-4-2-1-3-5-13)31-23(34)18-8-7-17(37-18)14-6-9-19(30-10-14)25(27,28)29/h6-10,13,15,20-22H,1-5,11-12H2,(H,31,34)/t15-,20-,21+,22+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331547
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccnc1)C1CCCCC1
Show InChI InChI=1S/C24H26ClN3O5/c25-16-12-28(21-17(29)13-32-22(16)21)24(31)20(14-5-2-1-3-6-14)27-23(30)19-9-8-18(33-19)15-7-4-10-26-11-15/h4,7-11,14,16,20-22H,1-3,5-6,12-13H2,(H,27,30)/t16-,20-,21+,22+/m0/s1
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612n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331599
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1ccc(nc1)C1CC1)C1CCCCC1
Show InChI InChI=1S/C26H29ClN4O4S/c27-17-12-31(22-19(32)13-35-23(17)22)26(34)21(15-4-2-1-3-5-15)30-24(33)25-29-11-20(36-25)16-8-9-18(28-10-16)14-6-7-14/h8-11,14-15,17,21-23H,1-7,12-13H2,(H,30,33)/t17-,21-,22+,23+/m0/s1
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616n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331600
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12)-c1cccnc1
Show InChI InChI=1S/C24H25ClFN3O4S/c25-15-11-29(20-17(30)12-33-21(15)20)24(32)19(13-5-2-1-3-6-13)28-23(31)22-16(26)9-18(34-22)14-7-4-8-27-10-14/h4,7-10,13,15,19-21H,1-3,5-6,11-12H2,(H,28,31)/t15-,19-,20+,21+/m0/s1
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646n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331562
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccncn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O5/c24-14-10-28(20-16(29)11-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-8-9-25-12-26-15/h6-9,12-14,19-21H,1-5,10-11H2,(H,27,30)/t14-,19-,20+,21+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331594
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cc(sc1C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12)-c1cccnn1
Show InChI InChI=1S/C23H24ClFN4O4S/c24-13-10-29(19-16(30)11-33-20(13)19)23(32)18(12-5-2-1-3-6-12)27-22(31)21-14(25)9-17(34-21)15-7-4-8-26-28-15/h4,7-9,12-13,18-20H,1-3,5-6,10-11H2,(H,27,31)/t13-,18-,19+,20+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331556
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccnn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O5/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-5-2-1-3-6-13)26-22(30)18-9-8-17(33-18)15-7-4-10-25-27-15/h4,7-10,13-14,19-21H,1-3,5-6,11-12H2,(H,26,30)/t14-,19-,20+,21+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331585
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Fc1cnccc1-c1cnc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H24ClFN4O4S/c24-14-10-29(19-16(30)11-33-20(14)19)23(32)18(12-4-2-1-3-5-12)28-21(31)22-27-9-17(34-22)13-6-7-26-8-15(13)25/h6-9,12,14,18-20H,1-5,10-11H2,(H,28,31)/t14-,18-,19+,20+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331578
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ncc(s1)-c1cncc(c1)C#N)C1CCCCC1
Show InChI InChI=1S/C24H24ClN5O4S/c25-16-11-30(20-17(31)12-34-21(16)20)24(33)19(14-4-2-1-3-5-14)29-22(32)23-28-10-18(35-23)15-6-13(7-26)8-27-9-15/h6,8-10,14,16,19-21H,1-5,11-12H2,(H,29,32)/t16-,19-,20+,21+/m0/s1
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GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331560
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(o1)-c1cnccn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O5/c24-14-11-28(20-16(29)12-32-21(14)20)23(31)19(13-4-2-1-3-5-13)27-22(30)18-7-6-17(33-18)15-10-25-8-9-26-15/h6-10,13-14,19-21H,1-5,11-12H2,(H,27,30)/t14-,19-,20+,21+/m0/s1
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833n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM331546
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ncccn1)C1CCCCC1
Show InChI InChI=1S/C23H25ClN4O4S/c24-14-11-28(19-15(29)12-32-20(14)19)23(31)18(13-5-2-1-3-6-13)27-22(30)17-8-7-16(33-17)21-25-9-4-10-26-21/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2,(H,27,30)/t14-,18-,19+,20+/m0/s1
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US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...


US Patent US9725459 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%