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Compile Data Set for Download or QSAR

Found 3319 hits Enz. Inhib. hit(s) with Target = 'Cathepsin D'   
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 D


(Homo sapiens (human))
BDBM29753
PNG
(macrocyclic peptidomimetic, 3g)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1
Show InChI InChI=1S/C25H47N3O4/c1-6-7-15-26-24(31)19(3)17-22(29)21-16-18(2)13-11-9-8-10-12-14-23(30)28(5)20(4)25(32)27-21/h18-22,29H,6-17H2,1-5H3,(H,26,31)(H,27,32)/t18-,19-,20+,21+,22+/m1/s1
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n/an/an/an/an/an/an/a3.122



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.036
BindingDB Entry DOI: 10.7270/Q2JS9NS3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29744
PNG
(hydroxyethylene tripeptide inhibitor, 1)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C
Show InChI InChI=1S/C25H49N3O4S/c1-8-9-13-26-24(31)19(6)16-22(29)21(15-18(4)5)28-25(32)20(12-14-33-7)27-23(30)11-10-17(2)3/h17-22,29H,8-16H2,1-7H3,(H,26,31)(H,27,30)(H,28,32)/t19-,20+,21+,22+/m1/s1
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n/an/a 370n/an/an/an/a3.122



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.036
BindingDB Entry DOI: 10.7270/Q2JS9NS3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29745
PNG
(hydroxyethylene tripeptide inhibitor, 2a)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCC(C)C
Show InChI InChI=1S/C23H45N3O4/c1-8-9-12-24-22(29)17(6)14-20(27)19(13-16(4)5)26-23(30)18(7)25-21(28)11-10-15(2)3/h15-20,27H,8-14H2,1-7H3,(H,24,29)(H,25,28)(H,26,30)/t17-,18+,19+,20+/m1/s1
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n/an/an/an/an/an/an/a3.122



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.036
BindingDB Entry DOI: 10.7270/Q2JS9NS3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29754
PNG
(macrocyclic peptidomimetic, 3h)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1
Show InChI InChI=1S/C26H49N3O4/c1-6-7-16-27-25(32)20(3)18-23(30)22-17-19(2)14-12-10-8-9-11-13-15-24(31)29(5)21(4)26(33)28-22/h19-23,30H,6-18H2,1-5H3,(H,27,32)(H,28,33)/t19-,20-,21+,22+,23+/m1/s1
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n/an/a 8.10E+3n/an/an/an/a3.122



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.036
BindingDB Entry DOI: 10.7270/Q2JS9NS3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29746
PNG
(N-methyl-alanine tripeptide inhibitor, 2b)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)CCC(C)C
Show InChI InChI=1S/C24H47N3O4/c1-9-10-13-25-23(30)18(6)15-21(28)20(14-17(4)5)26-24(31)19(7)27(8)22(29)12-11-16(2)3/h16-21,28H,9-15H2,1-8H3,(H,25,30)(H,26,31)/t18-,19+,20+,21+/m1/s1
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n/an/an/an/an/an/an/a3.122



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.036
BindingDB Entry DOI: 10.7270/Q2JS9NS3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29747
PNG
(macrocyclic peptidomimetic, 3a)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCC(=O)N[C@@H](C)C(=O)N1
Show InChI InChI=1S/C23H43N3O4/c1-5-6-13-24-22(29)17(3)15-20(27)19-14-16(2)11-9-7-8-10-12-21(28)25-18(4)23(30)26-19/h16-20,27H,5-15H2,1-4H3,(H,24,29)(H,25,28)(H,26,30)/t16-,17-,18+,19+,20+/m1/s1
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n/an/an/an/an/an/an/a3.122



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.036
BindingDB Entry DOI: 10.7270/Q2JS9NS3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29752
PNG
(macrocyclic peptidomimetic, 3f)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCCC(=O)N[C@@H](C)C(=O)N1
Show InChI InChI=1S/C26H49N3O4/c1-5-6-16-27-25(32)20(3)18-23(30)22-17-19(2)14-12-10-8-7-9-11-13-15-24(31)28-21(4)26(33)29-22/h19-23,30H,5-18H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)/t19-,20-,21+,22+,23+/m1/s1
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n/an/an/an/an/an/an/a3.122



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.036
BindingDB Entry DOI: 10.7270/Q2JS9NS3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29751
PNG
(macrocyclic peptidomimetic, 3e)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCCCCCCC(=O)N[C@@H](C)C(=O)N1
Show InChI InChI=1S/C24H45N3O4/c1-4-5-16-25-23(30)18(2)17-21(28)20-14-12-10-8-6-7-9-11-13-15-22(29)26-19(3)24(31)27-20/h18-21,28H,4-17H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/t18-,19+,20+,21+/m1/s1
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n/an/an/an/an/an/an/a3.122



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.036
BindingDB Entry DOI: 10.7270/Q2JS9NS3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29750
PNG
(macrocyclic peptidomimetic, 3d)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N[C@@H](C)C(=O)N1
Show InChI InChI=1S/C25H47N3O4/c1-5-6-15-26-24(31)19(3)17-22(29)21-16-18(2)13-11-9-7-8-10-12-14-23(30)27-20(4)25(32)28-21/h18-22,29H,5-17H2,1-4H3,(H,26,31)(H,27,30)(H,28,32)/t18-,19-,20+,21+,22+/m1/s1
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n/an/a 1.70E+3n/an/an/an/a3.122



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.036
BindingDB Entry DOI: 10.7270/Q2JS9NS3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29749
PNG
(macrocyclic peptidomimetic, 3c)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCCCCCC(=O)N[C@@H](C)C(=O)N1
Show InChI InChI=1S/C23H43N3O4/c1-4-5-15-24-22(29)17(2)16-20(27)19-13-11-9-7-6-8-10-12-14-21(28)25-18(3)23(30)26-19/h17-20,27H,4-16H2,1-3H3,(H,24,29)(H,25,28)(H,26,30)/t17-,18+,19+,20+/m1/s1
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n/an/an/an/an/an/an/a3.122



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.036
BindingDB Entry DOI: 10.7270/Q2JS9NS3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29748
PNG
(NVP-ARV99 | macrocyclic peptidomimetic, 3b)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N[C@@H](C)C(=O)N1
Show InChI InChI=1S/C24H45N3O4/c1-5-6-14-25-23(30)18(3)16-21(28)20-15-17(2)12-10-8-7-9-11-13-22(29)26-19(4)24(31)27-20/h17-21,28H,5-16H2,1-4H3,(H,25,30)(H,26,29)(H,27,31)/t17-,18-,19+,20+,21+/m1/s1
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n/an/an/an/an/an/an/a3.122



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.036
BindingDB Entry DOI: 10.7270/Q2JS9NS3
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36570
PNG
(EHM)
Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C37H33Cl2N3O8/c38-25-11-13-30(28(39)19-25)48-21-33(44)40-35(24-6-2-1-3-7-24)29(43)20-41(16-14-23-10-12-31-32(18-23)50-22-49-31)34(45)15-17-42-36(46)26-8-4-5-9-27(26)37(42)47/h1-13,18-19,29,35,43H,14-17,20-22H2,(H,40,44)/t29?,35-/m0/s1
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9n/a 14n/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36569
PNG
(FHO)
Show SMILES OC(CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C36H31Cl4N3O6/c37-24-11-10-22(29(39)18-24)14-16-42(33(46)15-17-43-35(47)26-8-4-5-9-27(26)36(43)48)20-31(44)34(23-6-2-1-3-7-23)41-32(45)21-49-25-12-13-28(38)30(40)19-25/h1-13,18-19,31,34,44H,14-17,20-21H2,(H,41,45)/t31?,34-/m0/s1
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14n/a 18n/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36571
PNG
(EHR)
Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C37H34ClN3O8/c38-26-9-6-10-27(20-26)47-22-33(43)39-35(25-7-2-1-3-8-25)30(42)21-40(17-15-24-13-14-31-32(19-24)49-23-48-31)34(44)16-18-41-36(45)28-11-4-5-12-29(28)37(41)46/h1-14,19-20,30,35,42H,15-18,21-23H2,(H,39,43)/t30?,35-/m0/s1
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15n/a 20n/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36567
PNG
(EHO)
Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C37H33Cl2N3O8/c38-28-12-11-25(19-29(28)39)48-21-33(44)40-35(24-6-2-1-3-7-24)30(43)20-41(16-14-23-10-13-31-32(18-23)50-22-49-31)34(45)15-17-42-36(46)26-8-4-5-9-27(26)37(42)47/h1-13,18-19,30,35,43H,14-17,20-22H2,(H,40,44)/t30?,35-/m0/s1
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15n/a 19n/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36572
PNG
(EHS)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)N[C@H](C(O)CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C38H36BrN3O9/c1-48-31-19-27(28(39)20-32(31)49-2)36(45)40-35(24-8-4-3-5-9-24)29(43)21-41(16-14-23-12-13-30-33(18-23)51-22-50-30)34(44)15-17-42-37(46)25-10-6-7-11-26(25)38(42)47/h3-13,18-20,29,35,43H,14-17,21-22H2,1-2H3,(H,40,45)/t29?,35-/m0/s1
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59n/a 64n/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36559
PNG
(EHD)
Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C37H32Cl3N3O8/c38-26-17-28(40)31(18-27(26)39)49-20-33(45)41-35(23-6-2-1-3-7-23)29(44)19-42(14-12-22-10-11-30-32(16-22)51-21-50-30)34(46)13-15-43-36(47)24-8-4-5-9-25(24)37(43)48/h1-11,16-18,29,35,44H,12-15,19-21H2,(H,41,45)/t29?,35-/m0/s1
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73n/an/an/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36561
PNG
(EHJ)
Show SMILES COc1ccc(C(=O)N[C@H](C(O)CN(CCc2ccc3OCOc3c2)C(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)c(Cl)c1OC
Show InChI InChI=1S/C38H36ClN3O9/c1-48-30-15-13-27(33(39)35(30)49-2)36(45)40-34(24-8-4-3-5-9-24)28(43)21-41(18-16-23-12-14-29-31(20-23)51-22-50-29)32(44)17-19-42-37(46)25-10-6-7-11-26(25)38(42)47/h3-15,20,28,34,43H,16-19,21-22H2,1-2H3,(H,40,45)/t28?,34-/m0/s1
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111n/an/an/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36562
PNG
(EHA)
Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)CCn1c2ccccc2oc1=O)c1ccccc1
Show InChI InChI=1S/C39H36N4O9/c44-30(36(26-8-2-1-3-9-26)40-34(45)17-20-42-29-12-6-7-13-31(29)52-39(42)49)23-41(19-16-25-14-15-32-33(22-25)51-24-50-32)35(46)18-21-43-37(47)27-10-4-5-11-28(27)38(43)48/h1-15,22,30,36,44H,16-21,23-24H2,(H,40,45)/t30?,36-/m0/s1
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131n/an/an/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36563
PNG
(EFA)
Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCc1ccc(Cl)c(Cl)c1)[C@@H](NC(=O)CCn1c2ccccc2oc1=O)c1ccccc1
Show InChI InChI=1S/C37H35Cl2N3O7/c38-27-13-10-24(20-28(27)39)12-15-35(45)41(18-16-25-11-14-32-33(21-25)48-23-47-32)22-30(43)36(26-6-2-1-3-7-26)40-34(44)17-19-42-29-8-4-5-9-31(29)49-37(42)46/h1-11,13-14,20-21,30,36,43H,12,15-19,22-23H2,(H,40,44)/t30?,36-/m0/s1
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171n/an/an/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36573
PNG
(UHD)
Show SMILES Cc1ccc(CCN(CC(O)[C@@H](NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c2ccccc2)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C37H34Cl3N3O6/c1-23-11-13-24(14-12-23)15-17-42(34(46)16-18-43-36(47)26-9-5-6-10-27(26)37(43)48)21-31(44)35(25-7-3-2-4-8-25)41-33(45)22-49-32-20-29(39)28(38)19-30(32)40/h2-14,19-20,31,35,44H,15-18,21-22H2,1H3,(H,41,45)/t31?,35-/m0/s1
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224n/a 229n/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36564
PNG
(FHA)
Show SMILES OC(CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)CCn1c2ccccc2oc1=O)c1ccccc1
Show InChI InChI=1S/C38H34Cl2N4O7/c39-26-15-14-24(29(40)22-26)16-19-42(34(47)18-21-44-36(48)27-10-4-5-11-28(27)37(44)49)23-31(45)35(25-8-2-1-3-9-25)41-33(46)17-20-43-30-12-6-7-13-32(30)51-38(43)50/h1-15,22,31,35,45H,16-21,23H2,(H,41,46)/t31?,35-/m0/s1
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231n/an/an/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36565
PNG
(FBB)
Show SMILES COc1cccc(CCN(CC(O)[C@@H](NC(=O)Cn2c(O)csc2=S)c2ccccc2)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C30H38N4O5S2/c1-39-24-14-8-9-21(17-24)15-16-33(29(38)31-23-12-6-3-7-13-23)18-25(35)28(22-10-4-2-5-11-22)32-26(36)19-34-27(37)20-41-30(34)40/h2,4-5,8-11,14,17,20,23,25,28,35,37H,3,6-7,12-13,15-16,18-19H2,1H3,(H,31,38)(H,32,36)/t25?,28-/m0/s1
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356n/an/an/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36566
PNG
(FDB)
Show SMILES CCCCCCC(=O)N(CCc1cccc(OC)c1)CC(O)[C@@H](NC(=O)Cn1c(O)csc1=S)c1ccccc1
Show InChI InChI=1S/C30H39N3O5S2/c1-3-4-5-9-15-27(36)32(17-16-22-11-10-14-24(18-22)38-2)19-25(34)29(23-12-7-6-8-13-23)31-26(35)20-33-28(37)21-40-30(33)39/h6-8,10-14,18,21,25,29,34,37H,3-5,9,15-17,19-20H2,1-2H3,(H,31,35)/t25?,29-/m0/s1
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595n/an/an/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36560
PNG
((R)-EHD)
Show SMILES O[C@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C37H32Cl3N3O8/c38-26-17-28(40)31(18-27(26)39)49-20-33(45)41-35(23-6-2-1-3-7-23)29(44)19-42(14-12-22-10-11-30-32(16-22)51-21-50-30)34(46)13-15-43-36(47)24-8-4-5-9-25(24)37(43)48/h1-11,16-18,29,35,44H,12-15,19-21H2,(H,41,45)/t29-,35+/m1/s1
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>5.00E+3n/an/an/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM36568
PNG
((R)-EHO)
Show SMILES O[C@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C37H33Cl2N3O8/c38-28-12-11-25(19-29(28)39)48-21-33(44)40-35(24-6-2-1-3-7-24)30(43)20-41(16-14-23-10-13-31-32(18-23)50-22-49-31)34(45)15-17-42-36(46)26-8-4-5-9-27(26)37(42)47/h1-13,18-19,30,35,43H,14-17,20-22H2,(H,40,44)/t30-,35+/m1/s1
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n/an/a>5.00E+3n/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.


Chem Biol 4: 297-307 (1997)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM17786
PNG
((4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-...)
Show SMILES CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N
Show InChI InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1
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n/an/a 110n/an/an/an/a4.022



Johnson & Johnson Pharmaceutical



Assay Description
Cathepsin D activity was measured at pH 4 using a FRET peptide substrate. Compounds were preincubated with recombinant human liver cathepsin D for 20...


J Med Chem 50: 4261-4 (2007)


Article DOI: 10.1021/jm0705408
BindingDB Entry DOI: 10.7270/Q24M92T2
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16252
PNG
((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(...)
Show SMILES CSC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C
Show InChI InChI=1S/C30H54N6O6S/c1-17(2)11-23(25(37)12-20(7)27(38)34-26(19(5)6)29(40)31-14-18(3)4)32-28(39)24(15-43-10)33-30(41)42-16-36-22(9)13-21(8)35-36/h13,17-20,23-26,37H,11-12,14-16H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,38)/t20-,23+,24+,25+,26+/m1/s1
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15 -46.5n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Am Chem Soc 128: 5310-1 (2006)


Article DOI: 10.1021/ja058636j
BindingDB Entry DOI: 10.7270/Q26W98BN
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16251
PNG
((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1S)-1-{[(...)
Show SMILES CSCC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H54N6O6S/c1-21(2)16-28(36-32(43)27(14-15-47-8)37-34(45)46-20-40-25(7)18-24(6)39-40)29(41)17-23(5)31(42)38-30(22(3)4)33(44)35-19-26-12-10-9-11-13-26/h9-13,18,21-23,27-30,41H,14-17,19-20H2,1-8H3,(H,35,44)(H,36,43)(H,37,45)(H,38,42)/t23-,27+,28+,29+,30+/m1/s1
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25 -45.1n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Am Chem Soc 128: 5310-1 (2006)


Article DOI: 10.1021/ja058636j
BindingDB Entry DOI: 10.7270/Q26W98BN
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16259
PNG
(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C
Show InChI InChI=1S/C36H55N5O7S/c1-21(2)16-30(31(42)17-24(7)33(43)40-32(22(3)4)36(46)37-23(5)6)39-35(45)28-18-27(19-29(20-28)41(9)49(10,47)48)34(44)38-25(8)26-14-12-11-13-15-26/h11-15,18-25,30-32,42H,16-17H2,1-10H3,(H,37,46)(H,38,44)(H,39,45)(H,40,43)/t24-,25-,30+,31+,32+/m1/s1
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41 -43.9n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 50: 2399-407 (2007)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2348HNP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16253
PNG
((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(...)
Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCn1nc(C)cc1C)C(C)C
Show InChI InChI=1S/C30H54N6O8S/c1-17(2)11-23(25(37)12-20(7)27(38)34-26(19(5)6)29(40)31-14-18(3)4)32-28(39)24(15-45(10,42)43)33-30(41)44-16-36-22(9)13-21(8)35-36/h13,17-20,23-26,37H,11-12,14-16H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,38)/t20-,23+,24+,25+,26+/m1/s1
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131 -40.9n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Am Chem Soc 128: 5310-1 (2006)


Article DOI: 10.1021/ja058636j
BindingDB Entry DOI: 10.7270/Q26W98BN
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16257
PNG
(1-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-N-[(1...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NCc1nc(C)oc1C)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C
Show InChI InChI=1S/C34H54N6O8S/c1-18(2)12-27(29(41)13-21(7)31(42)39-30(19(3)4)34(45)36-20(5)6)38-33(44)25-14-24(15-26(16-25)40(10)49(11,46)47)32(43)35-17-28-22(8)48-23(9)37-28/h14-16,18-21,27,29-30,41H,12-13,17H2,1-11H3,(H,35,43)(H,36,45)(H,38,44)(H,39,42)/t21-,27+,29+,30+/m1/s1
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245 -39.3n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 50: 2399-407 (2007)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2348HNP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16254
PNG
((2,5-dimethyl-1,3-oxazol-4-yl)methyl N-[(1R)-1-{[(...)
Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc1nc(C)oc1C)C(C)C
Show InChI InChI=1S/C30H53N5O9S/c1-16(2)11-22(25(36)12-19(7)27(37)35-26(18(5)6)29(39)31-13-17(3)4)33-28(38)24(15-45(10,41)42)34-30(40)43-14-23-20(8)44-21(9)32-23/h16-19,22,24-26,36H,11-15H2,1-10H3,(H,31,39)(H,33,38)(H,34,40)(H,35,37)/t19-,22+,24+,25+,26+/m1/s1
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304 -38.7n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Am Chem Soc 128: 5310-1 (2006)


Article DOI: 10.1021/ja058636j
BindingDB Entry DOI: 10.7270/Q26W98BN
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16034
PNG
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
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448 -37.7n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 50: 2399-407 (2007)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2348HNP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16256
PNG
(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Show SMILES CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)N(C)S(C)(=O)=O
Show InChI InChI=1S/C31H53N5O7S/c1-11-12-32-29(39)22-15-23(17-24(16-22)36(9)44(10,42)43)30(40)34-25(13-18(2)3)26(37)14-21(8)28(38)35-27(19(4)5)31(41)33-20(6)7/h15-21,25-27,37H,11-14H2,1-10H3,(H,32,39)(H,33,41)(H,34,40)(H,35,38)/t21-,25+,26+,27+/m1/s1
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483 -37.5n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 50: 2399-407 (2007)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2348HNP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16262
PNG
(1-N-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-3-N-[(...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NC(C)c1nc(C)oc1C)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C
Show InChI InChI=1S/C35H56N6O8S/c1-18(2)13-28(29(42)14-21(7)32(43)40-30(19(3)4)35(46)36-20(5)6)39-34(45)26-15-25(16-27(17-26)41(11)50(12,47)48)33(44)37-22(8)31-23(9)49-24(10)38-31/h15-22,28-30,42H,13-14H2,1-12H3,(H,36,46)(H,37,44)(H,39,45)(H,40,43)/t21-,22?,28+,29+,30+/m1/s1
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490 -37.5n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 50: 2399-407 (2007)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2348HNP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16261
PNG
(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C
Show InChI InChI=1S/C36H55N5O8S/c1-21(2)15-29(31(43)16-24(7)33(44)40-32(22(3)4)36(47)37-23(5)6)38-34(45)26-17-27(19-28(18-26)41(8)50(9,48)49)35(46)39-30(20-42)25-13-11-10-12-14-25/h10-14,17-19,21-24,29-32,42-43H,15-16,20H2,1-9H3,(H,37,47)(H,38,45)(H,39,46)(H,40,44)/t24-,29+,30-,31+,32+/m1/s1
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633 -36.8n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 50: 2399-407 (2007)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2348HNP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8025
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O
Show InChI InChI=1S/C30H36BrN5O4/c1-19(2)27(36-29(39)23-10-6-7-15-33-23)30(40)35-24(16-20-8-4-3-5-9-20)26(37)18-34-25(28(32)38)17-21-11-13-22(31)14-12-21/h3-15,19,24-27,34,37H,16-18H2,1-2H3,(H2,32,38)(H,35,40)(H,36,39)/t24-,25-,26-,27-/m0/s1
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>2.00E+3>-33.8n/an/an/an/an/a4.537



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8024
PNG
((2R,5S,6R)-3-Aza-2-benzyl-5-hydroxy-7-phenyl-6-[(p...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H37N5O4/c1-20(2)27(35-29(38)23-15-9-10-16-32-23)30(39)34-24(17-21-11-5-3-6-12-21)26(36)19-33-25(28(31)37)18-22-13-7-4-8-14-22/h3-16,20,24-27,33,36H,17-19H2,1-2H3,(H2,31,37)(H,34,39)(H,35,38)/t24-,25+,26-,27-/m0/s1
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>2.00E+3>-33.8n/an/an/an/an/a4.537



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8021
PNG
((2S)-2-{[(2S,3S)-2-hydroxy-3-[(2S)-3-methyl-2-(pyr...)
Show SMILES CC(C)C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C27H39N5O4/c1-17(2)14-22(25(28)34)30-16-23(33)21(15-19-10-6-5-7-11-19)31-27(36)24(18(3)4)32-26(35)20-12-8-9-13-29-20/h5-13,17-18,21-24,30,33H,14-16H2,1-4H3,(H2,28,34)(H,31,36)(H,32,35)/t21-,22-,23-,24-/m0/s1
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>2.00E+3>-33.8n/an/an/an/an/a4.537



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8022
PNG
((2S)-N-[(2S,3S)-4-{[(S)-carbamoyl(phenyl)methyl]am...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H](C(N)=O)c1ccccc1
Show InChI InChI=1S/C29H35N5O4/c1-19(2)25(34-28(37)22-15-9-10-16-31-22)29(38)33-23(17-20-11-5-3-6-12-20)24(35)18-32-26(27(30)36)21-13-7-4-8-14-21/h3-16,19,23-26,32,35H,17-18H2,1-2H3,(H2,30,36)(H,33,38)(H,34,37)/t23-,24-,25-,26-/m0/s1
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>2.00E+3>-33.8n/an/an/an/an/a4.537



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8023
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-phenylethyl...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H37N5O4/c1-20(2)27(35-29(38)23-15-9-10-16-32-23)30(39)34-24(17-21-11-5-3-6-12-21)26(36)19-33-25(28(31)37)18-22-13-7-4-8-14-22/h3-16,20,24-27,33,36H,17-19H2,1-2H3,(H2,31,37)(H,34,39)(H,35,38)/t24-,25-,26-,27-/m0/s1
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>2.80E+3>-33.0n/an/an/an/an/a4.537



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29808
PNG
(sulfone tricyclic analogue, 21)
Show SMILES CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1
Show InChI InChI=1S/C26H31N3O5S/c1-2-18-16-29-10-11-35(32,33)34-24-14-19(13-21(18)25(24)29)26(31)28-22(12-17-6-4-3-5-7-17)23(30)15-27-20-8-9-20/h3-7,13-14,16,20,22-23,27,30H,2,8-12,15H2,1H3,(H,28,31)/t22-,23+/m0/s1
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n/an/a 2.97E+3n/an/an/an/a4.522



GSK



Assay Description
Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...


Bioorg Med Chem Lett 19: 3674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.149
BindingDB Entry DOI: 10.7270/Q25H7DKK
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29805
PNG
(sulfone tricyclic analogue, 18)
Show SMILES CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H32F3N3O5S/c1-2-22-19-37-11-12-43(40,41)42-28-16-23(15-25(22)29(28)37)30(39)36-26(14-20-7-4-3-5-8-20)27(38)18-35-17-21-9-6-10-24(13-21)31(32,33)34/h3-10,13,15-16,19,26-27,35,38H,2,11-12,14,17-18H2,1H3,(H,36,39)/t26-,27+/m0/s1
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n/an/a 2.16E+3n/an/an/an/a4.522



GSK



Assay Description
Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...


Bioorg Med Chem Lett 19: 3674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.149
BindingDB Entry DOI: 10.7270/Q25H7DKK
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16755
PNG
(Acylguanidine, 10d | N-[(1Z)-amino[(3-hydroxypropy...)
Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO
Show InChI InChI=1S/C25H29ClN4O3/c1-2-16-33-19-10-8-18(9-11-19)22-12-13-23(20-6-3-4-7-21(20)26)30(22)17-24(32)29-25(27)28-14-5-15-31/h3-4,6-13,31H,2,5,14-17H2,1H3,(H3,27,28,29,32)
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n/an/a 5.90E+3n/an/an/an/a4.522



Wyeth Research



Assay Description
A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...


J Med Chem 49: 6158-61 (2006)


Article DOI: 10.1021/jm0607451
BindingDB Entry DOI: 10.7270/Q2M043NG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16754
PNG
(2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-[...)
Show SMILES OCCCNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1
Show InChI InChI=1S/C26H34N4O2/c27-25(28-9-4-10-31)29-24(32)17-30-22(21-5-2-1-3-6-21)7-8-23(30)26-14-18-11-19(15-26)13-20(12-18)16-26/h1-3,5-8,18-20,31H,4,9-17H2,(H3,27,28,29,32)
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n/an/a 1.94E+4n/an/an/an/a4.522



Wyeth Research



Assay Description
A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...


J Med Chem 49: 6158-61 (2006)


Article DOI: 10.1021/jm0607451
BindingDB Entry DOI: 10.7270/Q2M043NG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16753
PNG
(2-[2-(2-chlorophenyl)-5-[4-(4-acetylphenoxy)phenyl...)
Show SMILES CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3Cl)n2CC(=O)NC(N)=N)cc1
Show InChI InChI=1S/C27H23ClN4O3/c1-17(33)18-6-10-20(11-7-18)35-21-12-8-19(9-13-21)24-14-15-25(22-4-2-3-5-23(22)28)32(24)16-26(34)31-27(29)30/h2-15H,16H2,1H3,(H4,29,30,31,34)
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n/an/a 8.20E+3n/an/an/an/a4.522



Wyeth Research



Assay Description
A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...


J Med Chem 49: 6158-61 (2006)


Article DOI: 10.1021/jm0607451
BindingDB Entry DOI: 10.7270/Q2M043NG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16752
PNG
(2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1
Show InChI InChI=1S/C23H28N4O/c24-22(25)26-21(28)14-27-19(18-4-2-1-3-5-18)6-7-20(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H4,24,25,26,28)
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n/an/a 3.02E+4n/an/an/an/a4.522



Wyeth Research



Assay Description
A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...


J Med Chem 49: 6158-61 (2006)


Article DOI: 10.1021/jm0607451
BindingDB Entry DOI: 10.7270/Q2M043NG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16751
PNG
((N-(diaminomethylene)-2,4-diphenyl-1H-pyrrole-1-ac...)
Show SMILES NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24)
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n/an/a 6.00E+4n/an/an/an/a4.522



Wyeth Research



Assay Description
A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...


J Med Chem 49: 6158-61 (2006)


Article DOI: 10.1021/jm0607451
BindingDB Entry DOI: 10.7270/Q2M043NG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM29807
PNG
(sulfone tricyclic analogue, 20)
Show SMILES CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C
Show InChI InChI=1S/C26H29N3O5S/c1-3-10-27-16-23(30)22(13-18-8-6-5-7-9-18)28-26(31)20-14-21-19(4-2)17-29-11-12-35(32,33)34-24(15-20)25(21)29/h1,5-9,14-15,17,22-23,27,30H,4,10-13,16H2,2H3,(H,28,31)/t22-,23+/m0/s1
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n/an/a 1.51E+4n/an/an/an/a4.522



GSK



Assay Description
Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...


Bioorg Med Chem Lett 19: 3674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.149
BindingDB Entry DOI: 10.7270/Q25H7DKK
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