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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))
BDBM93450
PNG
(Flavonid, 6[4,6])
Show SMILES COc1ccc2oc(cc(=O)c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16O3/c1-24-18-11-12-21-19(13-18)20(23)14-22(25-21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.92E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM49933
PNG
(6-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one |...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc(OC)ccc2o1
Show InChI InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)17-10-15(18)14-9-13(20-2)7-8-16(14)21-17/h3-10H,1-2H3
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UniChem

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Article
PubMed
n/an/a 1.20E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93449
PNG
(Flavonid, 6[4,3])
Show SMILES COc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)c(OC)c1OC
Show InChI InChI=1S/C19H18O6/c1-21-11-5-7-15-13(9-11)14(20)10-17(25-15)12-6-8-16(22-2)19(24-4)18(12)23-3/h5-10H,1-4H3
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93447
PNG
(Flavonid, 6[3,6])
Show SMILES Fc1ccc2oc(cc(=O)c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H13FO2/c22-17-10-11-20-18(12-17)19(23)13-21(24-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
PDB
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 2.90E+3n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93446
PNG
(Flavonid, 6[3,3])
Show SMILES COc1ccc(-c2cc(=O)c3cc(F)ccc3o2)c(OC)c1OC
Show InChI InChI=1S/C18H15FO5/c1-21-15-7-5-11(17(22-2)18(15)23-3)16-9-13(20)12-8-10(19)4-6-14(12)24-16/h4-9H,1-3H3
PDB
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UniChem

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Article
PubMed
n/an/a 4.10E+3n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93445
PNG
(Flavonid, 6[3,2])
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)c2cc(F)ccc2o1
Show InChI InChI=1S/C17H13FO4/c1-20-11-4-5-12(16(8-11)21-2)17-9-14(19)13-7-10(18)3-6-15(13)22-17/h3-9H,1-2H3
PDB
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KEGG

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UniChem

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Article
PubMed
n/an/a 1.60E+3n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93444
PNG
(Flavonid, 6[3,1])
Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc(F)ccc2o1
Show InChI InChI=1S/C16H11FO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3
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UniChem

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Article
PubMed
n/an/a 800n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93443
PNG
(Flavonid, 6[2,6])
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H18O4/c1-25-18-12-21(26-2)23-19(24)14-20(27-22(23)13-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3
PDB
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UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93448
PNG
(Flavonid, 6[4,2])
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)c2cc(OC)ccc2o1
Show InChI InChI=1S/C18H16O5/c1-20-11-5-7-16-14(8-11)15(19)10-18(23-16)13-6-4-12(21-2)9-17(13)22-3/h4-10H,1-3H3
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UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93434
PNG
(Flavonid, 5a)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(OC)cc2OC)c(O)c1
Show InChI InChI=1S/C18H18O5/c1-21-13-7-8-15(17(20)10-13)16(19)9-5-12-4-6-14(22-2)11-18(12)23-3/h4-11,20H,1-3H3/b9-5+
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93435
PNG
(Flavonid, 5b)
Show SMILES COc1cccc(Cl)c1\C=C\C(=O)c1ccc(F)cc1O
Show InChI InChI=1S/C16H12ClFO3/c1-21-16-4-2-3-13(17)11(16)7-8-14(19)12-6-5-10(18)9-15(12)20/h2-9,20H,1H3/b8-7+
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UniChem
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PubMed
n/an/a>5.00E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93436
PNG
(Flavonid, 5c)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Oc3ccccc3)cc2O)c1
Show InChI InChI=1S/C22H18O4/c1-25-18-9-5-6-16(14-18)10-13-21(23)20-12-11-19(15-22(20)24)26-17-7-3-2-4-8-17/h2-15,24H,1H3/b13-10+
PDB
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UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93437
PNG
(Flavonid, 6b)
Show SMILES COc1cccc(Cl)c1-c1cc(=O)c2ccc(F)cc2o1
Show InChI InChI=1S/C16H10ClFO3/c1-20-13-4-2-3-11(17)16(13)15-8-12(19)10-6-5-9(18)7-14(10)21-15/h2-8H,1H3
PDB
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UniChem
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PubMed
n/an/a>5.00E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93438
PNG
(Flavonid, 6d)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)c2cc(Br)ccc2o1
Show InChI InChI=1S/C17H13BrO4/c1-20-11-4-5-12(16(8-11)21-2)17-9-14(19)13-7-10(18)3-6-15(13)22-17/h3-9H,1-2H3
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UniChem
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PubMed
n/an/a 1.20E+3n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93439
PNG
(Flavonid, 6e)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)-c1c(F)cccc1Cl
Show InChI InChI=1S/C15H7ClF2O2/c16-10-2-1-3-11(18)15(10)14-7-12(19)9-5-4-8(17)6-13(9)20-14/h1-7H
PDB
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UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93451
PNG
(Flavonid, 6[1,4])
Show SMILES CC(C)(C)Oc1ccc(cc1)-c1cc(=O)c2ccc(Oc3ccccc3)cc2o1
Show InChI InChI=1S/C25H22O4/c1-25(2,3)29-19-11-9-17(10-12-19)23-16-22(26)21-14-13-20(15-24(21)28-23)27-18-7-5-4-6-8-18/h4-16H,1-3H3
PDB
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UniChem

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Article
PubMed
n/an/a 2.70E+3n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93440
PNG
(Flavonid, 6[1,6])
Show SMILES O=c1cc(oc2cc(Oc3ccccc3)ccc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H18O3/c28-25-18-26(21-13-11-20(12-14-21)19-7-3-1-4-8-19)30-27-17-23(15-16-24(25)27)29-22-9-5-2-6-10-22/h1-18H
PDB
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UniChem

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Article
PubMed
n/an/a 1.11E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93441
PNG
(Flavonid, 6[2,2])
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)c2c(OC)cc(OC)cc2o1
Show InChI InChI=1S/C19H18O6/c1-21-11-5-6-13(15(7-11)23-3)16-10-14(20)19-17(24-4)8-12(22-2)9-18(19)25-16/h5-10H,1-4H3
PDB
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UniChem

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Article
PubMed
n/an/a 1.90E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM93442
PNG
(Flavonid, 6[2,3])
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1OC
Show InChI InChI=1S/C20H20O7/c1-22-11-8-16(24-3)18-13(21)10-15(27-17(18)9-11)12-6-7-14(23-2)20(26-5)19(12)25-4/h6-10H,1-5H3
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PubMed
n/an/a>5.00E+4n/an/an/an/a5.527



Universidade Federal de São Carlo



Assay Description
Recombinant human cathepsin V was expressed and purified as described previously.


J Comb Chem 12: 687-95 (2010)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q269726R
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM31975
PNG
(Dipeptidyl nitrile inhibitor, 8)
Show SMILES Cc1cccc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N
Show InChI InChI=1S/C19H18ClN3O2/c1-13-4-2-6-15(10-13)18(24)23-17(19(25)22-9-8-21)12-14-5-3-7-16(20)11-14/h2-7,10-11,17H,9,12H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1
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PubMed
n/an/a 794n/an/an/an/a7.037



AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM31974
PNG
(Dipeptidyl nitrile inhibitor, 7)
Show SMILES Cc1ccc(cc1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N
Show InChI InChI=1S/C19H18ClN3O2/c1-13-5-7-15(8-6-13)18(24)23-17(19(25)22-10-9-21)12-14-3-2-4-16(20)11-14/h2-8,11,17H,10,12H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1
PDB
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PubMed
n/an/a 1.00E+3n/an/an/an/a7.037



AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM31973
PNG
(Dipeptidyl nitrile inhibitor, 6)
Show SMILES Clc1cccc(C[C@H](NC(=O)C2CCCCCC2)C(=O)NCC#N)c1
Show InChI InChI=1S/C19H24ClN3O2/c20-16-9-5-6-14(12-16)13-17(19(25)22-11-10-21)23-18(24)15-7-3-1-2-4-8-15/h5-6,9,12,15,17H,1-4,7-8,11,13H2,(H,22,25)(H,23,24)/t17-/m0/s1
PDB
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PubMed
n/an/a 6.31E+3n/an/an/an/a7.037



AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM31972
PNG
(Dipeptidyl nitrile inhibitor, 5)
Show SMILES Clc1cccc(C[C@H](NC(=O)C2=CCCCC2)C(=O)NCC#N)c1
Show InChI InChI=1S/C18H20ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h4-6,8,11,16H,1-3,7,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1
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n/an/a 398n/an/an/an/a7.037



AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM31971
PNG
(Dipeptidyl nitrile inhibitor, 4)
Show SMILES Clc1cccc(C[C@H](NC(=O)C2CCCCC2)C(=O)NCC#N)c1
Show InChI InChI=1S/C18H22ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h4-5,8,11,14,16H,1-3,6-7,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1
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n/an/a 6.31E+3n/an/an/an/a7.037



AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (human))
BDBM31970
PNG
(Dipeptidyl nitrile inhibitor, 1)
Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C18H16ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h1-8,11,16H,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1
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n/an/a 794n/an/an/an/a7.037



AstraZeneca



Assay Description
IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.


Bioorg Med Chem Lett 19: 4280-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.071
BindingDB Entry DOI: 10.7270/Q2TT4PBM
More data for this
Ligand-Target Pair
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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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
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
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
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
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 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


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
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 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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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 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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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
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
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
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
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
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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Article
PubMed
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
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)


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