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Compile Data Set for Download or QSAR

Found 209 hits Enz. Inhib. hit(s) with Target = 'Cathepsin V' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 V


(Homo sapiens (human))
BDBM19778
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
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PubMed
0.0630 -57.6n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM19769
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1
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PubMed
1.80 -49.4n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103351
PNG
(US8552202, Compound 3)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C21H25ClN2O4/c22-15-11-24(18-16(25)12-28-19(15)18)21(27)17(13-7-3-1-4-8-13)23-20(26)14-9-5-2-6-10-14/h2,5-6,9-10,13,15,17-19H,1,3-4,7-8,11-12H2,(H,23,26)/t15-,17-,18+,19+/m0/s1
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US Patent
100n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103364
PNG
(US8552202, Compound 13)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1ccnc1)C1CCCCC1
Show InChI InChI=1S/C24H27ClN4O4/c25-18-12-29(21-19(30)13-33-22(18)21)24(32)20(15-5-2-1-3-6-15)27-23(31)16-7-4-8-17(11-16)28-10-9-26-14-28/h4,7-11,14-15,18,20-22H,1-3,5-6,12-13H2,(H,27,31)/t18-,20-,21+,22+/m0/s1
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US Patent
170n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50336482
PNG
(CHEMBL1668599 | citibrasine)
Show SMILES COc1c(OC)c(OC)c2n(C)c3c(O)cccc3c(=O)c2c1O
Show InChI InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
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200n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103358
PNG
(US8552202, Compound 9)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1cnnn1)C1CCCCC1
Show InChI InChI=1S/C22H25ClN6O4/c23-16-10-28(19-17(30)11-33-20(16)19)22(32)18(13-5-2-1-3-6-13)25-21(31)14-7-4-8-15(9-14)29-12-24-26-27-29/h4,7-9,12-13,16,18-20H,1-3,5-6,10-11H2,(H,25,31)/t16-,18-,19+,20+/m0/s1
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US Patent
240n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50385972
PNG
(CHEMBL2042470)
Show SMILES [O-][N+](=O)c1ccc2[nH]c3ccc(OCc4ccccc4)cc3c(=O)c2c1
Show InChI InChI=1S/C20H14N2O4/c23-20-16-10-14(22(24)25)6-8-18(16)21-19-9-7-15(11-17(19)20)26-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,23)
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400n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analysi...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50336477
PNG
(1,3,5-trihydroxy-4-methoxy-10-methyl-2,8-bis(3-met...)
Show SMILES COc1c(O)c(CC=C(C)C)c(O)c2c1n(C)c1c(O)ccc(CC=C(C)C)c1c2=O
Show InChI InChI=1S/C25H29NO5/c1-13(2)7-9-15-10-12-17(27)20-18(15)24(30)19-21(26(20)5)25(31-6)23(29)16(22(19)28)11-8-14(3)4/h7-8,10,12,27-29H,9,11H2,1-6H3
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500n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103350
PNG
(US8552202, Compound 2)
Show SMILES F[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C21H25FN2O4/c22-15-11-24(18-16(25)12-28-19(15)18)21(27)17(13-7-3-1-4-8-13)23-20(26)14-9-5-2-6-10-14/h2,5-6,9-10,13,15,17-19H,1,3-4,7-8,11-12H2,(H,23,26)/t15-,17-,18+,19+/m0/s1
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US Patent
700n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50385977
PNG
(CHEMBL2042446)
Show SMILES CCCCc1ccc(cc1)-c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C19H19NO/c1-2-3-6-14-9-11-15(12-10-14)18-13-19(21)16-7-4-5-8-17(16)20-18/h4-5,7-13H,2-3,6H2,1H3,(H,20,21)
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800n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot anal...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50385984
PNG
(CHEMBL2042454)
Show SMILES OC(=O)c1cc2ccccc2cc1Nc1ccc(OCc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H18N2O5/c27-24(28)20-12-17-8-4-5-9-18(17)13-21(20)25-19-10-11-23(22(14-19)26(29)30)31-15-16-6-2-1-3-7-16/h1-14,25H,15H2,(H,27,28)
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800n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analy...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50336481
PNG
(CHEMBL451705 | citrusinine I | citrusinine-I)
Show SMILES COc1cc(O)c2c(c1OC)n(C)c1c(O)cccc1c2=O
Show InChI InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50336478
PNG
(1,3,5-trihydroxy-4-methoxy-2-(3-methylbut-2-enyl)-...)
Show SMILES COc1c(O)c(CC=C(C)C)c(O)c2c1n(C)c1c(O)cccc1c2=O
Show InChI InChI=1S/C20H21NO5/c1-10(2)8-9-12-18(24)14-16(20(26-4)19(12)25)21(3)15-11(17(14)23)6-5-7-13(15)22/h5-8,22,24-25H,9H2,1-4H3
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PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50385962
PNG
(CHEMBL2042461)
Show SMILES COc1cc(Nc2cc3ccccc3cc2C(O)=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C25H21NO4/c1-29-24-15-20(11-12-23(24)30-16-17-7-3-2-4-8-17)26-22-14-19-10-6-5-9-18(19)13-21(22)25(27)28/h2-15,26H,16H2,1H3,(H,27,28)
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1.10E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analy...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50336476
PNG
(1,3,5-trihydroxy-2,8-bis(3-methylbut-2-enyl)-10-me...)
Show SMILES CC(C)=CCc1c(O)cc2n(C)c3c(O)ccc(CC=C(C)C)c3c(=O)c2c1O
Show InChI InChI=1S/C24H27NO4/c1-13(2)6-8-15-9-11-18(26)22-20(15)24(29)21-17(25(22)5)12-19(27)16(23(21)28)10-7-14(3)4/h6-7,9,11-12,26-28H,8,10H2,1-5H3
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PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50385966
PNG
(CHEMBL2042465)
Show SMILES O=c1c2ccccc2[nH]c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C20H15NO2/c22-20-16-8-4-5-9-18(16)21-19-12-15(10-11-17(19)20)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,21,22)
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PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analysi...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103363
PNG
(US8552202, Example 3)
Show SMILES CC1(C)CCC(CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C24H29ClN6O4/c1-24(2)8-6-14(7-9-24)19(23(34)30-11-17(25)21-20(30)18(32)12-35-21)27-22(33)15-4-3-5-16(10-15)31-13-26-28-29-31/h3-5,10,13-14,17,19-21H,6-9,11-12H2,1-2H3,(H,27,33)/t17-,19-,20+,21+/m0/s1
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US Patent
1.70E+3n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50336486
PNG
(3,4-dihydro-3,5,8-trihydroxy-6-methoxy-2,2,7-trime...)
Show SMILES COc1c(O)c2CC(O)C(C)(C)Oc2c2c1n(C)c1c(O)cccc1c2=O
Show InChI InChI=1S/C20H21NO6/c1-20(2)12(23)8-10-17(25)19(26-4)15-13(18(10)27-20)16(24)9-6-5-7-11(22)14(9)21(15)3/h5-7,12,22-23,25H,8H2,1-4H3
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1.70E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103365
PNG
(US8552202, Compound 14)
Show SMILES Cl[C@@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1ccnc1)C1CCCCC1
Show InChI InChI=1S/C24H27ClN4O4/c25-18-12-29(21-19(30)13-33-22(18)21)24(32)20(15-5-2-1-3-6-15)27-23(31)16-7-4-8-17(11-16)28-10-9-26-14-28/h4,7-11,14-15,18,20-22H,1-3,5-6,12-13H2,(H,27,31)/t18-,20+,21-,22-/m1/s1
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US Patent
1.80E+3n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103349
PNG
(US8552202, Compound 1)
Show SMILES O=C(N[C@@H](C1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1ccccc1
Show InChI InChI=1S/C21H26N2O4/c24-16-13-27-17-11-12-23(19(16)17)21(26)18(14-7-3-1-4-8-14)22-20(25)15-9-5-2-6-10-15/h2,5-6,9-10,14,17-19H,1,3-4,7-8,11-13H2,(H,22,25)/t17-,18+,19-/m1/s1
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US Patent
1.90E+3n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103357
PNG
(US8552202, Compound 8)
Show SMILES F[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1cccc(c1)-n1cnnn1)C1CCCCC1
Show InChI InChI=1S/C22H25FN6O4/c23-16-10-28(19-17(30)11-33-20(16)19)22(32)18(13-5-2-1-3-6-13)25-21(31)14-7-4-8-15(9-14)29-12-24-26-27-29/h4,7-9,12-13,16,18-20H,1-3,5-6,10-11H2,(H,25,31)/t16-,18-,19+,20+/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103367
PNG
(US8552202, Example 4)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1ccnc1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H29ClN4O4/c1-15-5-7-16(8-6-15)21(25(33)30-12-19(26)23-22(30)20(31)13-34-23)28-24(32)17-3-2-4-18(11-17)29-10-9-27-14-29/h2-4,9-11,14-16,19,21-23H,5-8,12-13H2,1H3,(H,28,32)/t15-,16-,19-,21-,22+,23+/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50336480
PNG
(1,3,5-trihydroxy-4-methoxy-10-methylacridone | CHE...)
Show SMILES COc1c(O)cc(O)c2c1n(C)c1c(O)cccc1c2=O
Show InChI InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3
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4.20E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50336485
PNG
(2,3-dihydro-4,9-dihydroxy-2-(2-hydroxy-propan-2-yl...)
Show SMILES COc1c2OC(Cc2c(O)c2c1n(C)c1c(O)cccc1c2=O)C(C)(C)O
Show InChI InChI=1S/C20H21NO6/c1-20(2,25)12-8-10-17(24)13-15(19(26-4)18(10)27-12)21(3)14-9(16(13)23)6-5-7-11(14)22/h5-7,12,22,24-25H,8H2,1-4H3
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4.40E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103356
PNG
(US8552202, Compound 7)
Show SMILES O=C(N[C@@H](C1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C22H26N6O4/c29-17-12-32-18-9-10-27(20(17)18)22(31)19(14-5-2-1-3-6-14)24-21(30)15-7-4-8-16(11-15)28-13-23-25-26-28/h4,7-8,11,13-14,18-20H,1-3,5-6,9-10,12H2,(H,24,30)/t18-,19+,20-/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103348
PNG
(US8552202, 63)
Show SMILES O=C(N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1ccccc1
Show InChI InChI=1S/C22H28N2O4/c25-18-14-28-19-11-12-24(20(18)19)22(27)17(13-15-7-3-1-4-8-15)23-21(26)16-9-5-2-6-10-16/h2,5-6,9-10,15,17,19-20H,1,3-4,7-8,11-14H2,(H,23,26)/t17-,19+,20+/m0/s1
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5.70E+3n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM34544
PNG
(US8552202, Compound 38)
Show SMILES O=C(NC(CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1ccccc1
Show InChI InChI=1S/C11H7N3OS2/c15-10-8-9(12-6-13-10)14(11(16)17-8)7-4-2-1-3-5-7/h1-6H,(H,12,13,15)
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5.70E+3n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103352
PNG
(US8552202, Compound 4)
Show SMILES C[C@H]1CCC(CC1)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C22H28N2O4/c1-14-7-9-15(10-8-14)19(23-21(26)16-5-3-2-4-6-16)22(27)24-12-11-18-20(24)17(25)13-28-18/h2-6,14-15,18-20H,7-13H2,1H3,(H,23,26)/t14-,15?,18-,19+,20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103353
PNG
(US8552202, Compound 5)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C22H27FN2O4/c1-13-7-9-14(10-8-13)18(24-21(27)15-5-3-2-4-6-15)22(28)25-11-16(23)20-19(25)17(26)12-29-20/h2-6,13-14,16,18-20H,7-12H2,1H3,(H,24,27)/t13-,14-,16-,18-,19+,20+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103354
PNG
(US8552202, Example 1)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C22H27ClN2O4/c1-13-7-9-14(10-8-13)18(24-21(27)15-5-3-2-4-6-15)22(28)25-11-16(23)20-19(25)17(26)12-29-20/h2-6,13-14,16,18-20H,7-12H2,1H3,(H,24,27)/t13-,14-,16-,18-,19+,20+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103355
PNG
(US8552202, Compound 6)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C22H27ClN2O4/c1-13-7-9-14(10-8-13)18(24-21(27)15-5-3-2-4-6-15)22(28)25-11-16(23)20-19(25)17(26)12-29-20/h2-6,13-14,16,18-20H,7-12H2,1H3,(H,24,27)/t13-,14-,16-,18+,19-,20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50336479
PNG
(CHEMBL1668598 | glycocitrine-I)
Show SMILES CC(C)=CCc1c(O)cc(O)c2c1n(C)c1c(O)cccc1c2=O
Show InChI InChI=1S/C19H19NO4/c1-10(2)7-8-11-14(22)9-15(23)16-18(11)20(3)17-12(19(16)24)5-4-6-13(17)21/h4-7,9,21-23H,8H2,1-3H3
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1.00E+4n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103360
PNG
(US8552202, Compound 11)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H27FN6O4/c1-13-5-7-14(8-6-13)19(23(33)29-10-17(24)21-20(29)18(31)11-34-21)26-22(32)15-3-2-4-16(9-15)30-12-25-27-28-30/h2-4,9,12-14,17,19-21H,5-8,10-11H2,1H3,(H,26,32)/t13-,14-,17-,19-,20+,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103361
PNG
(US8552202, Example 2)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H27ClN6O4/c1-13-5-7-14(8-6-13)19(23(33)29-10-17(24)21-20(29)18(31)11-34-21)26-22(32)15-3-2-4-16(9-15)30-12-25-27-28-30/h2-4,9,12-14,17,19-21H,5-8,10-11H2,1H3,(H,26,32)/t13-,14-,17-,19-,20+,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103362
PNG
(US8552202, Compound 12)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H27ClN6O4/c1-13-5-7-14(8-6-13)19(23(33)29-10-17(24)21-20(29)18(31)11-34-21)26-22(32)15-3-2-4-16(9-15)30-12-25-27-28-30/h2-4,9,12-14,17,19-21H,5-8,10-11H2,1H3,(H,26,32)/t13-,14-,17-,19+,20-,21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103366
PNG
(US8552202, Compound 15)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1ccnc1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C25H29FN4O4/c1-15-5-7-16(8-6-15)21(25(33)30-12-19(26)23-22(30)20(31)13-34-23)28-24(32)17-3-2-4-18(11-17)29-10-9-27-14-29/h2-4,9-11,14-16,19,21-23H,5-8,12-13H2,1H3,(H,28,32)/t15-,16-,19-,21-,22+,23+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM103359
PNG
(US8552202, Compound 10)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C23H28N6O4/c1-14-5-7-15(8-6-14)20(23(32)28-10-9-19-21(28)18(30)12-33-19)25-22(31)16-3-2-4-17(11-16)29-13-24-26-27-29/h2-4,11,13-15,19-21H,5-10,12H2,1H3,(H,25,31)/t14-,15-,19-,20+,21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)

More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50414641
PNG
(CHEMBL554065)
Show SMILES COCc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C24H29N7O4/c1-24(2,3)19-13-18(31(4)30-19)22(33)27-17(21(32)26-10-9-25)12-15-7-6-8-16(11-15)23-29-28-20(35-23)14-34-5/h6-8,11,13,17H,10,12,14H2,1-5H3,(H,26,32)(H,27,33)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50414640
PNG
(CHEMBL562844)
Show SMILES Cc1nnc(s1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C23H27N7O2S/c1-14-27-28-22(33-14)16-8-6-7-15(11-16)12-17(20(31)25-10-9-24)26-21(32)18-13-19(23(2,3)4)29-30(18)5/h6-8,11,13,17H,10,12H2,1-5H3,(H,25,31)(H,26,32)
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n/an/a 3.16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50414638
PNG
(CHEMBL549378)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nncs1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C22H25N7O2S/c1-22(2,3)18-12-17(29(4)28-18)20(31)26-16(19(30)24-9-8-23)11-14-6-5-7-15(10-14)21-27-25-13-32-21/h5-7,10,12-13,16H,9,11H2,1-4H3,(H,24,30)(H,26,31)
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n/an/a 6.31n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50414639
PNG
(CHEMBL550872)
Show SMILES Cc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1
Show InChI InChI=1S/C23H27N7O3/c1-14-27-28-22(33-14)16-8-6-7-15(11-16)12-17(20(31)25-10-9-24)26-21(32)18-13-19(23(2,3)4)29-30(18)5/h6-8,11,13,17H,10,12H2,1-5H3,(H,25,31)(H,26,32)
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n/an/a 6.31n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50414642
PNG
(CHEMBL549791)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CO)o1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C23H27N7O4/c1-23(2,3)18-12-17(30(4)29-18)21(33)26-16(20(32)25-9-8-24)11-14-6-5-7-15(10-14)22-28-27-19(13-31)34-22/h5-7,10,12,16,31H,9,11,13H2,1-4H3,(H,25,32)(H,26,33)
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n/an/a 7.94n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50331557
PNG
(2-chloro-N-(1-(1-methyl-1H-pyrazol-3-ylamino)-1,2-...)
Show SMILES CCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1
Show InChI InChI=1S/C23H21ClF3N5O4/c1-3-15(20(33)22(35)30-17-9-11-32(2)31-17)29-21(34)14-7-8-16(18(19(14)24)23(25,26)27)36-12-13-6-4-5-10-28-13/h4-11,15H,3,12H2,1-2H3,(H,29,34)(H,30,31,35)
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n/an/a 16.6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin V by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50414637
PNG
(CHEMBL562915)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnco1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C22H25N7O3/c1-22(2,3)18-12-17(29(4)28-18)20(31)26-16(19(30)24-9-8-23)11-14-6-5-7-15(10-14)21-27-25-13-32-21/h5-7,10,12-13,16H,9,11H2,1-4H3,(H,24,30)(H,26,31)
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n/an/a 19.9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50414636
PNG
(CHEMBL559880)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1nncs1)NC(=O)c1ccccc1
Show InChI InChI=1S/C20H17N5O2S/c21-9-10-22-19(27)17(24-18(26)15-6-2-1-3-7-15)12-14-5-4-8-16(11-14)20-25-23-13-28-20/h1-8,11,13,17H,10,12H2,(H,22,27)(H,24,26)
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n/an/a 25.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50331769
PNG
((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N
Show InChI InChI=1S/C30H28F4N4O3S/c1-18(2)27(29(39)37-24(17-36)15-23-5-4-19(16-35)14-26(23)31)38-28(30(32,33)34)22-8-6-20(7-9-22)21-10-12-25(13-11-21)42(3,40)41/h4-14,18,24,27-28,38H,15H2,1-3H3,(H,37,39)/t24-,27-,28-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cat V


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50165427
PNG
(CHEMBL194068 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)
Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)NCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H31N3O5/c1-5-6-12-16(25-21(29)30-18-20(28)23-13-22(18,3)4)17(26)19(27)24-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)/t14-,16+,18-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50331555
PNG
(CHEMBL1289305 | N-(1-(1H-pyrazol-3-ylamino)-1,2-di...)
Show SMILES CCC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C16H14ClF3N4O3/c1-2-10(13(25)15(27)23-11-6-7-21-24-11)22-14(26)8-4-3-5-9(12(8)17)16(18,19)20/h3-7,10H,2H2,1H3,(H,22,26)(H2,21,23,24,27)
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n/an/a 29.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin V by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50331556
PNG
(2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-...)
Show SMILES CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1
Show InChI InChI=1S/C22H19ClF3N5O4/c1-12(19(32)21(34)29-16-8-10-31(2)30-16)28-20(33)14-6-7-15(17(18(14)23)22(24,25)26)35-11-13-5-3-4-9-27-13/h3-10,12H,11H2,1-2H3,(H,28,33)(H,29,30,34)
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n/an/a 36.3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin V by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM50414643
PNG
(CHEMBL557455)
Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CN)o1)C(=O)NCC#N)C(C)(C)C
Show InChI InChI=1S/C23H28N8O3/c1-23(2,3)18-12-17(31(4)30-18)21(33)27-16(20(32)26-9-8-24)11-14-6-5-7-15(10-14)22-29-28-19(13-25)34-22/h5-7,10,12,16H,9,11,13,25H2,1-4H3,(H,26,32)(H,27,33)
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n/an/a 39.8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Citation and Details
More data for this
Ligand-Target Pair
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