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Compile Data Set for Download or QSAR

Found 209 hits Enz. Inhib. hit(s) with Target = 'Cathepsin V'   
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 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 |r|
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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0.0630n/an/an/an/an/an/an/an/a



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...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
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 |r|
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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1.80n/an/an/an/an/an/an/an/a



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...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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


Bioorg Med Chem 19: 1477-81 (2011)


Article DOI: 10.1016/j.bmc.2010.12.056
BindingDB Entry DOI: 10.7270/Q2QJ7HK4
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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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...


Eur J Med Chem 54: 10-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.002
BindingDB Entry DOI: 10.7270/Q22J6CW7
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 [#6]-[#8]-c1c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c2c1n(-[#6])c1c(-[#8])ccc(-[#6]\[#6]=[#6](\[#6])-[#6])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


Bioorg Med Chem 19: 1477-81 (2011)


Article DOI: 10.1016/j.bmc.2010.12.056
BindingDB Entry DOI: 10.7270/Q2QJ7HK4
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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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...


Eur J Med Chem 54: 10-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.002
BindingDB Entry DOI: 10.7270/Q22J6CW7
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...


Eur J Med Chem 54: 10-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.002
BindingDB Entry DOI: 10.7270/Q22J6CW7
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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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


Bioorg Med Chem 19: 1477-81 (2011)


Article DOI: 10.1016/j.bmc.2010.12.056
BindingDB Entry DOI: 10.7270/Q2QJ7HK4
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...


Eur J Med Chem 54: 10-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.002
BindingDB Entry DOI: 10.7270/Q22J6CW7
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 [#6]-[#8]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1n(-[#6])c1c(-[#8])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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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


Bioorg Med Chem 19: 1477-81 (2011)


Article DOI: 10.1016/j.bmc.2010.12.056
BindingDB Entry DOI: 10.7270/Q2QJ7HK4
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 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2n(-[#6])c3c(-[#8])ccc(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
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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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


Bioorg Med Chem 19: 1477-81 (2011)


Article DOI: 10.1016/j.bmc.2010.12.056
BindingDB Entry DOI: 10.7270/Q2QJ7HK4
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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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...


Eur J Med Chem 54: 10-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.002
BindingDB Entry DOI: 10.7270/Q22J6CW7
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


Bioorg Med Chem 19: 1477-81 (2011)


Article DOI: 10.1016/j.bmc.2010.12.056
BindingDB Entry DOI: 10.7270/Q2QJ7HK4
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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r,wU:7.8,33.36,28.31,4.4,wD:26.29,1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|
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)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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


Bioorg Med Chem 19: 1477-81 (2011)


Article DOI: 10.1016/j.bmc.2010.12.056
BindingDB Entry DOI: 10.7270/Q2QJ7HK4
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


Bioorg Med Chem 19: 1477-81 (2011)


Article DOI: 10.1016/j.bmc.2010.12.056
BindingDB Entry DOI: 10.7270/Q2QJ7HK4
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 |r|
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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Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r|
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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Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r,wU:7.8,33.36,28.31,4.4,wD:26.29,1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|
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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Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r,wU:7.8,27.29,22.24,wD:1.0,(.08,4.62,;.08,3.08,;-1.25,2.31,;-1.25,.77,;.08,,;1.42,.77,;1.42,2.31,;.08,-1.54,;-1.25,-2.31,;-2.58,-1.54,;-2.58,,;-3.92,-2.31,;-5.25,-1.54,;-6.59,-2.31,;-6.59,-3.85,;-5.25,-4.62,;-3.92,-3.85,;1.42,-2.31,;1.42,-3.85,;2.75,-1.54,;2.75,,;4.22,.48,;5.12,-.77,;6.59,-1.25,;6.59,-2.79,;5.12,-3.26,;4.35,-4.6,;4.22,-2.02,)|
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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Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r,wU:7.8,33.36,28.31,4.4,26.29,wD:1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|
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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Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r,wU:7.8,33.36,28.31,4.4,wD:26.29,1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|
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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Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r,wU:7.8,33.36,28.31,4.4,wD:26.29,1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|
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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Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r,wU:7.8,32.35,27.30,4.4,wD:1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|
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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Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r,wU:7.8,28.30,23.25,4.4,wD:21.23,1.0,(.08,4.62,;.08,3.08,;-1.25,2.31,;-1.25,.77,;.08,,;1.42,.77,;1.42,2.31,;.08,-1.54,;-1.25,-2.31,;-2.58,-1.54,;-2.58,,;-3.92,-2.31,;-5.25,-1.54,;-6.59,-2.31,;-6.59,-3.85,;-5.25,-4.62,;-3.92,-3.85,;1.42,-2.31,;1.42,-3.85,;2.75,-1.54,;2.75,,;4.22,.48,;4.99,1.81,;5.12,-.77,;6.59,-1.25,;6.59,-2.79,;5.12,-3.26,;4.35,-4.6,;4.22,-2.02,)|
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)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r,wU:7.8,28.30,23.25,4.4,21.23,wD:1.0,(.08,4.62,;.08,3.08,;-1.25,2.31,;-1.25,.77,;.08,,;1.42,.77,;1.42,2.31,;.08,-1.54,;-1.25,-2.31,;-2.58,-1.54,;-2.58,,;-3.92,-2.31,;-5.25,-1.54,;-6.59,-2.31,;-6.59,-3.85,;-5.25,-4.62,;-3.92,-3.85,;1.42,-2.31,;1.42,-3.85,;2.75,-1.54,;2.75,,;4.22,.48,;4.99,1.81,;5.12,-.77,;6.59,-1.25,;6.59,-2.79,;5.12,-3.26,;4.35,-4.6,;4.22,-2.02,)|
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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Amura Therapeutics Limited

US Patent


Assay Description
In vitro inhibition assay using cathepsin.


US Patent US8552202 (2013)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
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 |r,wU:7.8,28.30,23.25,4.4,wD:21.23,1.0,(.08,4.62,;.08,3.08,;-1.25,2.31,;-1.25,.77,;.08,,;1.42,.77,;1.42,2.31,;.08,-1.54,;-1.25,-2.31,;-2.58,-1.54,;-2.58,,;-3.92,-2.31,;-5.25,-1.54,;-6.59,-2.31,;-6.59,-3.85,;-5.25,-4.62,;-3.92,-3.85,;1.42,-2.31,;1.42,-3.85,;2.75,-1.54,;2.75,,;4.22,.48,;4.99,1.81,;5.12,-.77,;6.59,-1.25,;6.59,-2.79,;5.12,-3.26,;4.35,-4.6,;4.22,-2.02,)|
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)


BindingDB Entry DOI: 10.7270/Q2S46QJ8
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM50336479
PNG
(CHEMBL1668598 | glycocitrine-I)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1n(-[#6])c1c(-[#8])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


Bioorg Med Chem 19: 1477-81 (2011)


Article DOI: 10.1016/j.bmc.2010.12.056
BindingDB Entry DOI: 10.7270/Q2QJ7HK4
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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AstraZeneca

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
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


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
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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AstraZeneca

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
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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AstraZeneca

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
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


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
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


Bioorg Med Chem Lett 20: 6890-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.012
BindingDB Entry DOI: 10.7270/Q20G3KD0
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


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
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


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
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 |r|
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


Bioorg Med Chem Lett 20: 7444-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.015
BindingDB Entry DOI: 10.7270/Q29S1R8D
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


Bioorg Med Chem Lett 15: 2209-13 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.023
BindingDB Entry DOI: 10.7270/Q20C4V8V
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


Bioorg Med Chem Lett 20: 6890-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.012
BindingDB Entry DOI: 10.7270/Q20G3KD0
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


Bioorg Med Chem Lett 20: 6890-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.012
BindingDB Entry DOI: 10.7270/Q20G3KD0
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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AstraZeneca

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
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