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Compile Data Set for Download or QSAR

Found 25 hits of ph data 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))
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
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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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))
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
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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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
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))
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
PDB
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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))
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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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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KEGG

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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))
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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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))
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
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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))
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
PDB
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KEGG

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UniChem
Article
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
MMDB

KEGG

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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))
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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UniChem

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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))
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
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))
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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KEGG

UniProtKB/SwissProt

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PC cid
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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))
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
PDB
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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))
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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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))
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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Article
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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Article
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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Article
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
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