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Compile Data Set for Download or QSAR

Found 22 hits from Amura Therapeutics, Limited   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K


(Homo sapiens (human))
BDBM100291
PNG
(US8501744, 7)
Show SMILES C[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C1CCCC1
Show InChI InChI=1S/C26H36N4O4/c1-17-15-30(23-21(31)16-34-24(17)23)26(33)22(18-5-3-4-6-18)27-25(32)19-7-9-20(10-8-19)29-13-11-28(2)12-14-29/h7-10,17-18,22-24H,3-6,11-16H2,1-2H3,(H,27,32)/t17-,22-,23+,24+/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100304
PNG
(US8501744, 29)
Show SMILES CC[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C1CCCC1
Show InChI InChI=1S/C27H38N4O4/c1-3-18-16-31(24-22(32)17-35-25(18)24)27(34)23(19-6-4-5-7-19)28-26(33)20-8-10-21(11-9-20)30-14-12-29(2)13-15-30/h8-11,18-19,23-25H,3-7,12-17H2,1-2H3,(H,28,33)/t18-,23-,24+,25+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100296
PNG
(US8501744, 17)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1csc(n1)N1CCN(C)CC1)C(=O)N1C[C@@H](C(F)F)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C28H35F2N5O4S/c1-16(2)12-20(27(38)35-13-19(25(29)30)24-23(35)22(36)14-39-24)31-26(37)18-6-4-17(5-7-18)21-15-40-28(32-21)34-10-8-33(3)9-11-34/h4-7,15-16,19-20,23-25H,8-14H2,1-3H3,(H,31,37)/t19-,20+,23-,24-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100305
PNG
(US8501744, 30)
Show SMILES CC(C)[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C1CCCC1
Show InChI InChI=1S/C28H40N4O4/c1-18(2)22-16-32(25-23(33)17-36-26(22)25)28(35)24(19-6-4-5-7-19)29-27(34)20-8-10-21(11-9-20)31-14-12-30(3)13-15-31/h8-11,18-19,22,24-26H,4-7,12-17H2,1-3H3,(H,29,34)/t22-,24+,25-,26-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100295
PNG
(US8501744, 22)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1csc(n1)N1CCN(C)CC1)C(=O)N1C[C@H](C)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C28H37N5O4S/c1-17(2)13-21(27(36)33-14-18(3)25-24(33)23(34)15-37-25)29-26(35)20-7-5-19(6-8-20)22-16-38-28(30-22)32-11-9-31(4)10-12-32/h5-8,16-18,21,24-25H,9-15H2,1-4H3,(H,29,35)/t18-,21-,24+,25+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100294
PNG
(US8501744, 16)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1csc(n1)N1CCN(C)CC1)C(=O)N1C[C@@H](C)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C28H37N5O4S/c1-17(2)13-21(27(36)33-14-18(3)25-24(33)23(34)15-37-25)29-26(35)20-7-5-19(6-8-20)22-16-38-28(30-22)32-11-9-31(4)10-12-32/h5-8,16-18,21,24-25H,9-15H2,1-4H3,(H,29,35)/t18-,21+,24-,25-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100297
PNG
(US8501744, 18)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1csc(n1)N1CCN(C)CC1)C(=O)N1C[C@H](C(F)F)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C28H35F2N5O4S/c1-16(2)12-20(27(38)35-13-19(25(29)30)24-23(35)22(36)14-39-24)31-26(37)18-6-4-17(5-7-18)21-15-40-28(32-21)34-10-8-33(3)9-11-34/h4-7,15-16,19-20,23-25H,8-14H2,1-3H3,(H,31,37)/t19-,20-,23+,24+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100289
PNG
(US8501744, 5)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C(=O)N1C[C@H](C)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H36N4O4/c1-16(2)13-20(25(32)29-14-17(3)23-22(29)21(30)15-33-23)26-24(31)18-5-7-19(8-6-18)28-11-9-27(4)10-12-28/h5-8,16-17,20,22-23H,9-15H2,1-4H3,(H,26,31)/t17-,20-,22+,23+/m0/s1
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0.75n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100293
PNG
(US8501744, 12)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C(=O)N1C[C@H](C(F)F)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H34F2N4O4/c1-15(2)12-19(25(34)31-13-18(23(26)27)22-21(31)20(32)14-35-22)28-24(33)16-4-6-17(7-5-16)30-10-8-29(3)9-11-30/h4-7,15,18-19,21-23H,8-14H2,1-3H3,(H,28,33)/t18-,19-,21+,22+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100301
PNG
(US8501744, 26)
Show SMILES CC(C)[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C(C)(C)C
Show InChI InChI=1S/C27H40N4O4/c1-17(2)20-15-31(22-21(32)16-35-23(20)22)26(34)24(27(3,4)5)28-25(33)18-7-9-19(10-8-18)30-13-11-29(6)12-14-30/h7-10,17,20,22-24H,11-16H2,1-6H3,(H,28,33)/t20-,22-,23-,24-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100300
PNG
(US8501744, 25)
Show SMILES CC[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C(C)(C)C
Show InChI InChI=1S/C26H38N4O4/c1-6-17-15-30(21-20(31)16-34-22(17)21)25(33)23(26(2,3)4)27-24(32)18-7-9-19(10-8-18)29-13-11-28(5)12-14-29/h7-10,17,21-23H,6,11-16H2,1-5H3,(H,27,32)/t17-,21+,22+,23+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100288
PNG
(US8501744, 4)
Show SMILES C[C@@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C1CCCC1
Show InChI InChI=1S/C26H36N4O4/c1-17-15-30(23-21(31)16-34-24(17)23)26(33)22(18-5-3-4-6-18)27-25(32)19-7-9-20(10-8-19)29-13-11-28(2)12-14-29/h7-10,17-18,22-24H,3-6,11-16H2,1-2H3,(H,27,32)/t17-,22+,23-,24-/m1/s1
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1n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100290
PNG
(US8501744, 6)
Show SMILES C[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C(C)(C)C
Show InChI InChI=1S/C25H36N4O4/c1-16-14-29(20-19(30)15-33-21(16)20)24(32)22(25(2,3)4)26-23(31)17-6-8-18(9-7-17)28-12-10-27(5)11-13-28/h6-9,16,20-22H,10-15H2,1-5H3,(H,26,31)/t16-,20+,21+,22+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100302
PNG
(US8501744, 27)
Show SMILES CC[C@@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C1CCCC1
Show InChI InChI=1S/C27H38N4O4/c1-3-18-16-31(24-22(32)17-35-25(18)24)27(34)23(19-6-4-5-7-19)28-26(33)20-8-10-21(11-9-20)30-14-12-29(2)13-15-30/h8-11,18-19,23-25H,3-7,12-17H2,1-2H3,(H,28,33)/t18-,23+,24-,25-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100287
PNG
(US8501744, 2)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C(=O)N1C[C@@H](C)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H36N4O4/c1-5-16(2)21(25(32)29-14-17(3)23-22(29)20(30)15-33-23)26-24(31)18-6-8-19(9-7-18)28-12-10-27(4)11-13-28/h6-9,16-17,21-23H,5,10-15H2,1-4H3,(H,26,31)/t16-,17+,21-,22+,23+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100303
PNG
(US8501744, 28)
Show SMILES CC(C)[C@@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C1CCCC1
Show InChI InChI=1S/C28H40N4O4/c1-18(2)22-16-32(25-23(33)17-36-26(22)25)28(35)24(19-6-4-5-7-19)29-27(34)20-8-10-21(11-9-20)31-14-12-30(3)13-15-31/h8-11,18-19,22,24-26H,4-7,12-17H2,1-3H3,(H,29,34)/t22-,24-,25+,26+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100292
PNG
(US8501744, 8)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C(=O)N1C[C@@H](C(F)F)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H34F2N4O4/c1-15(2)12-19(25(34)31-13-18(23(26)27)22-21(31)20(32)14-35-22)28-24(33)16-4-6-17(7-5-16)30-10-8-29(3)9-11-30/h4-7,15,18-19,21-23H,8-14H2,1-3H3,(H,28,33)/t18-,19+,21-,22-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100286
PNG
(US8501744, 1)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C(=O)N1C[C@@H](C)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H36N4O4/c1-16(2)13-20(25(32)29-14-17(3)23-22(29)21(30)15-33-23)26-24(31)18-5-7-19(8-6-18)28-11-9-27(4)10-12-28/h5-8,16-17,20,22-23H,9-15H2,1-4H3,(H,26,31)/t17-,20+,22-,23-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100299
PNG
(US8501744, 24)
Show SMILES CC(C)[C@@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C(C)(C)C
Show InChI InChI=1S/C27H40N4O4/c1-17(2)20-15-31(22-21(32)16-35-23(20)22)26(34)24(27(3,4)5)28-25(33)18-7-9-19(10-8-18)30-13-11-29(6)12-14-30/h7-10,17,20,22-24H,11-16H2,1-6H3,(H,28,33)/t20-,22+,23+,24+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100298
PNG
(US8501744, 23)
Show SMILES CC[C@@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C(C)(C)C
Show InChI InChI=1S/C26H38N4O4/c1-6-17-15-30(21-20(31)16-34-22(17)21)25(33)23(26(2,3)4)27-24(32)18-7-9-19(10-8-18)29-13-11-28(5)12-14-29/h7-10,17,21-23H,6,11-16H2,1-5H3,(H,27,32)/t17-,21-,22-,23-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100285
PNG
(CAC1 proteinases 5,5 bicyclic inhibitor 10)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCN(C)CC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H34N4O4/c1-16(2)14-19(24(31)28-9-8-21-22(28)20(29)15-32-21)25-23(30)17-4-6-18(7-5-17)27-12-10-26(3)11-13-27/h4-7,16,19,21-22H,8-15H2,1-3H3,(H,25,30)/t19-,21+,22+/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM100284
PNG
(CAC1 proteinases 5,5 bicyclic inhibitor 45a)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H32N2O4/c1-14(2)12-17(22(28)25-11-10-19-20(25)18(26)13-29-19)24-21(27)15-6-8-16(9-7-15)23(3,4)5/h6-9,14,17,19-20H,10-13H2,1-5H3,(H,24,27)/t17-,19+,20+/m0/s1
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87.4n/an/an/an/an/an/an/an/a



Amura Therapeutics, Limited

US Patent


Assay Description
In vitro cathepsin inhibition assay.


US Patent US8501744 (2013)


BindingDB Entry DOI: 10.7270/Q2D7992S
More data for this
Ligand-Target Pair