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Patent code US9802947

Compile Data Set for Download or QSAR
Found 18 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))
BDBM352414
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)C1CCCC1
Show InChI InChI=1/C23H26ClN3O4S/c24-15-11-27(20-16(28)12-31-21(15)20)23(30)19(13-4-1-2-5-13)26-22(29)18-8-7-17(32-18)14-6-3-9-25-10-14/h3,6-10,13,15-16,19-21,28H,1-2,4-5,11-12H2,(H,26,29)/t15-,16-,19-,20+,21+/s2
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US Patent


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


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM352420
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)-c1ccncc1)C1CCCC1
Show InChI InChI=1/C23H24ClN3O4S/c24-15-11-27(20-16(28)12-31-21(15)20)23(30)19(14-3-1-2-4-14)26-22(29)18-6-5-17(32-18)13-7-9-25-10-8-13/h5-10,14-15,19-21H,1-4,11-12H2,(H,26,29)/t15-,19-,20+,21+/s2
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US Patent


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


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM352413
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)-c1cccnc1)C1CCCC1
Show InChI InChI=1/C23H24ClN3O4S/c24-15-11-27(20-16(28)12-31-21(15)20)23(30)19(13-4-1-2-5-13)26-22(29)18-8-7-17(32-18)14-6-3-9-25-10-14/h3,6-10,13,15,19-21H,1-2,4-5,11-12H2,(H,26,29)/t15-,19-,20+,21+/s2
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US Patent


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


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM352416
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)C1CCCC1
Show InChI InChI=1/C22H23ClN4O4S/c23-14-10-27(19-15(28)11-31-20(14)19)22(30)18(12-3-1-2-4-12)26-21(29)17-6-5-16(32-17)13-7-8-24-25-9-13/h5-9,12,14,18-20H,1-4,10-11H2,(H,26,29)/t14-,18-,19+,20+/s2
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US Patent


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


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM352415
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)C1CCCC1
Show InChI InChI=1/C22H23ClN4O4S/c23-14-9-27(19-15(28)10-31-20(14)19)22(30)18(12-3-1-2-4-12)26-21(29)17-6-5-16(32-17)13-7-24-11-25-8-13/h5-8,11-12,14,18-20H,1-4,9-10H2,(H,26,29)/t14-,18-,19+,20+/s2
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US Patent


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


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM352417
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)-c1cnccn1)C1CCCC1
Show InChI InChI=1/C22H23ClN4O4S/c23-13-10-27(19-15(28)11-31-20(13)19)22(30)18(12-3-1-2-4-12)26-21(29)17-6-5-16(32-17)14-9-24-7-8-25-14/h5-9,12-13,18-20H,1-4,10-11H2,(H,26,29)/t13-,18-,19+,20+/s2
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US Patent


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


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM352418
PNG
(N((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Fc1cncc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1/C23H23ClFN3O4S/c24-15-10-28(20-16(29)11-32-21(15)20)23(31)19(12-3-1-2-4-12)27-22(30)18-6-5-17(33-18)13-7-14(25)9-26-8-13/h5-9,12,15,19-21H,1-4,10-11H2,(H,27,30)/t15-,19-,20+,21+/s2
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US Patent


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


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM352419
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)C1CCCC1
Show InChI InChI=1/C22H23ClN4O4S/c23-13-10-27(19-15(28)11-31-20(13)19)22(30)18(12-4-1-2-5-12)25-21(29)17-8-7-16(32-17)14-6-3-9-24-26-14/h3,6-9,12-13,18-20H,1-2,4-5,10-11H2,(H,25,29)/t13-,18-,19+,20+/s2
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US Patent


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


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM352421
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)-c1cccnc1)C1CCCC1
Show InChI InChI=1/C25H26ClN3O4/c26-19-13-29(22-20(30)14-33-23(19)22)25(32)21(15-5-1-2-6-15)28-24(31)17-8-3-7-16(11-17)18-9-4-10-27-12-18/h3-4,7-12,15,19,21-23H,1-2,5-6,13-14H2,(H,28,31)/t19-,21-,22+,23+/s2
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Assay Description
Recombinant human cathepsins (CatS, CatK, CatL, CatB) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a...


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM352416
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)C1CCCC1
Show InChI InChI=1/C22H23ClN4O4S/c23-14-10-27(19-15(28)11-31-20(14)19)22(30)18(12-3-1-2-4-12)26-21(29)17-6-5-16(32-17)13-7-8-24-25-9-13/h5-9,12,14,18-20H,1-4,10-11H2,(H,26,29)/t14-,18-,19+,20+/s2
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Assay Description
Recombinant human cathepsins (CatS, CatK, CatL, CatB) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a...


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM352421
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)-c1cccnc1)C1CCCC1
Show InChI InChI=1/C25H26ClN3O4/c26-19-13-29(22-20(30)14-33-23(19)22)25(32)21(15-5-1-2-6-15)28-24(31)17-8-3-7-16(11-17)18-9-4-10-27-12-18/h3-4,7-12,15,19,21-23H,1-2,5-6,13-14H2,(H,28,31)/t19-,21-,22+,23+/s2
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Assay Description
Recombinant human cathepsins (CatS, CatK, CatL, CatB) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a...


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM352415
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)C1CCCC1
Show InChI InChI=1/C22H23ClN4O4S/c23-14-9-27(19-15(28)10-31-20(14)19)22(30)18(12-3-1-2-4-12)26-21(29)17-6-5-16(32-17)13-7-24-11-25-8-13/h5-8,11-12,14,18-20H,1-4,9-10H2,(H,26,29)/t14-,18-,19+,20+/s2
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Assay Description
Recombinant human cathepsins (CatS, CatK, CatL, CatB) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a...


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM352413
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)-c1cccnc1)C1CCCC1
Show InChI InChI=1/C23H24ClN3O4S/c24-15-11-27(20-16(28)12-31-21(15)20)23(30)19(13-4-1-2-5-13)26-22(29)18-8-7-17(32-18)14-6-3-9-25-10-14/h3,6-10,13,15,19-21H,1-2,4-5,11-12H2,(H,26,29)/t15-,19-,20+,21+/s2
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Assay Description
Recombinant human cathepsins (CatS, CatK, CatL, CatB) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a...


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM352420
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)-c1ccncc1)C1CCCC1
Show InChI InChI=1/C23H24ClN3O4S/c24-15-11-27(20-16(28)12-31-21(15)20)23(30)19(14-3-1-2-4-14)26-22(29)18-6-5-17(32-18)13-7-9-25-10-8-13/h5-10,14-15,19-21H,1-4,11-12H2,(H,26,29)/t15-,19-,20+,21+/s2
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Assay Description
Recombinant human cathepsins (CatS, CatK, CatL, CatB) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a...


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM352418
PNG
(N((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Fc1cncc(c1)-c1ccc(s1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1/C23H23ClFN3O4S/c24-15-10-28(20-16(29)11-32-21(15)20)23(31)19(12-3-1-2-4-12)27-22(30)18-6-5-17(33-18)13-7-14(25)9-26-8-13/h5-9,12,15,19-21H,1-4,10-11H2,(H,27,30)/t15-,19-,20+,21+/s2
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Assay Description
Recombinant human cathepsins (CatS, CatK, CatL, CatB) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a...


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM352419
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)C1CCCC1
Show InChI InChI=1/C22H23ClN4O4S/c23-13-10-27(19-15(28)11-31-20(13)19)22(30)18(12-4-1-2-5-12)25-21(29)17-8-7-16(32-17)14-6-3-9-24-26-14/h3,6-9,12-13,18-20H,1-2,4-5,10-11H2,(H,25,29)/t13-,18-,19+,20+/s2
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Assay Description
Recombinant human cathepsins (CatS, CatK, CatL, CatB) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a...


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM352414
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)C1CCCC1
Show InChI InChI=1/C23H26ClN3O4S/c24-15-11-27(20-16(28)12-31-21(15)20)23(30)19(13-4-1-2-5-13)26-22(29)18-8-7-17(32-18)14-6-3-9-25-10-14/h3,6-10,13,15-16,19-21,28H,1-2,4-5,11-12H2,(H,26,29)/t15-,16-,19-,20+,21+/s2
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308n/an/an/an/an/an/an/an/a



GRÜNENTHAL GMBH

US Patent


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


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM352417
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)-c1cnccn1)C1CCCC1
Show InChI InChI=1/C22H23ClN4O4S/c23-13-10-27(19-15(28)11-31-20(13)19)22(30)18(12-3-1-2-4-12)26-21(29)17-6-5-16(32-17)14-9-24-7-8-25-14/h5-9,12-13,18-20H,1-4,10-11H2,(H,26,29)/t13-,18-,19+,20+/s2
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PC cid
PC sid
UniChem
Article
US Patent
355n/an/an/an/an/an/an/an/a



GRÜNENTHAL GMBH

US Patent


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


US Patent US9802947 (2017)


Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%