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Compile Data Set for Download or QSAR

Found 442 hits of ki data for polymerid = 1673   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin D


(Homo sapiens (Human))
BDBM50030745
PNG
(CHEMBL3342185)
Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C#N
Show InChI InChI=1S/C22H26N4O3/c1-22(2,3)29-21(28)24-26(17-23)16-20(27)25(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13H,14-16H2,1-3H3,(H,24,28)
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0.00143n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50030746
PNG
(CHEMBL3342184)
Show SMILES CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C#N
Show InChI InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H,18,22)
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0.00420n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50030747
PNG
(CHEMBL3342183)
Show SMILES CC(C)(C)OC(=O)NN(CC(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C12H20N4O4/c1-12(2,3)20-11(18)14-16(9-13)8-10(17)15-4-6-19-7-5-15/h4-8H2,1-3H3,(H,14,18)
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0.0110n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045281
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(20-24-12-7-5-8-13-24)30(38)22-29(37)23(2)3)33-32(40)28(21-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045290
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CC[C@H](C)CNC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C34H51F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-29,40H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045285
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES O[C@@H](C[C@H](O)C1SCCCS1)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C33H52N4O7S3/c1-2-10-26(34-32(41)28(22-25-13-7-4-8-14-25)36-47(42,43)37-15-17-44-18-16-37)31(40)35-27(21-24-11-5-3-6-12-24)29(38)23-30(39)33-45-19-9-20-46-33/h2,4,7-8,13-14,24,26-30,33,36,38-39H,1,3,5-6,9-12,15-23H2,(H,34,41)(H,35,40)/t26-,27-,28-,29-,30-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50080960
PNG
(2-Bromo-N-[(1S,2S)-3-{[2-(2,4-dichloro-phenyl)-eth...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)N[C@@H](Cc1cccc(Oc2ccccc2)c1)[C@@H](O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C44H40BrCl2N3O8/c1-56-39-24-34(35(45)25-40(39)57-2)42(53)48-37(22-27-9-8-12-31(21-27)58-30-10-4-3-5-11-30)38(51)26-49(19-17-28-15-16-29(46)23-36(28)47)41(52)18-20-50-43(54)32-13-6-7-14-33(32)44(50)55/h3-16,21,23-25,37-38,51H,17-20,22,26H2,1-2H3,(H,48,53)/t37-,38-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D (unknown origin)


Bioorg Med Chem Lett 24: 4141-50 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.054
BindingDB Entry DOI: 10.7270/Q2W95BV1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin D


(Homo sapiens (Human))
BDBM50169103
PNG
(CHEMBL191130 | Pyridine-2-carboxylic acid {(S)-1-[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C39H50N6O9/c1-22(2)16-29(36(40)48)43-37(49)24(5)42-34(47)18-31(46)30(44-39(51)35(23(3)4)45-38(50)28-8-6-7-15-41-28)20-52-19-25-9-11-26(12-10-25)27-13-14-32-33(17-27)54-21-53-32/h6-15,17,22-24,29-31,35,46H,16,18-21H2,1-5H3,(H2,40,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t24-,29-,30-,31-,35-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibitory concentration against the human Cathepsin D


J Med Chem 48: 4400-9 (2005)


Article DOI: 10.1021/jm040884n
BindingDB Entry DOI: 10.7270/Q2R78DRQ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50084670
PNG
(CHEMBL323806 | N-[3-[2-(2-Bromo-4,5-dimethoxy-phen...)
Show SMILES COc1cc(Br)c(OCC(=O)NC(Cc2cccc(Oc3ccccc3)c2)[C@@H](O)CN(CCc2ccc(Cl)cc2Cl)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1OC
Show InChI InChI=1S/C45H42BrCl2N3O9/c1-57-40-24-35(46)39(25-41(40)58-2)59-27-42(53)49-37(22-28-9-8-12-32(21-28)60-31-10-4-3-5-11-31)38(52)26-50(19-17-29-15-16-30(47)23-36(29)48)43(54)18-20-51-44(55)33-13-6-7-14-34(33)45(51)56/h3-16,21,23-25,37-38,52H,17-20,22,26-27H2,1-2H3,(H,49,53)/t37?,38-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity against aspartic proteases


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50333945
PNG
((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...)
Show SMILES CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C45H55N5O8S2/c1-28(2)37(43(54)49-45(59-29(3)4)44(55)46-25-30-14-9-7-10-15-30)24-39(51)38-27-58-26-31-16-13-19-33(20-31)40(32-17-11-8-12-18-32)48-42(53)35-21-34(41(52)47-38)22-36(23-35)50(5)60(6,56)57/h7-23,28-29,37-40,45,51H,24-27H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t37-,38-,39-,40?,45-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 21: 358-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.140
BindingDB Entry DOI: 10.7270/Q2HM58RJ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045291
PNG
(CHEMBL88340 | i2-[2-(Morpholine-4-sulfonylamino)-3...)
Show SMILES O[C@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(F)(F)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C35H54F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-31,41,44H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-,31+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM19855
PNG
(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
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1.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins


ACS Med Chem Lett 5: 1076-81 (2014)


Article DOI: 10.1021/ml500238q
BindingDB Entry DOI: 10.7270/Q20P11NT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50076285
PNG
(1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1
Show InChI InChI=1S/C35H41ClN4O6/c1-24(41)39-16-13-27(14-17-39)35(44)40(15-12-26-10-11-32-33(19-26)46-23-45-32)22-31(42)30(18-25-6-3-2-4-7-25)38-34(43)21-37-29-9-5-8-28(36)20-29/h2-11,19-20,27,30-31,37,42H,12-18,21-23H2,1H3,(H,38,43)/t30-,31-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D


J Med Chem 42: 1428-40 (1999)


Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50042296
PNG
(CHEMBL3352906)
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](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cc1nc(C)cs1)C(C)C
Show InChI InChI=1S/C35H62N6O7S/c1-19(2)13-25(27(42)14-22(7)31(44)41-29(21(5)6)33(46)36-16-20(3)4)39-32(45)26(17-37-34(47)48-35(10,11)12)40-30(43)23(8)15-28-38-24(9)18-49-28/h18-23,25-27,29,42H,13-17H2,1-12H3,(H,36,46)(H,37,47)(H,39,45)(H,40,43)(H,41,44)/t22-,23+,25+,26+,27+,29+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin D (unknown origin)


Bioorg Med Chem Lett 25: 668-72 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50169104
PNG
(CHEMBL371417 | Pyridine-2-carboxylic acid {(S)-1-[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(c1)-c1ccsc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C36H48N6O7S/c1-21(2)15-28(33(37)45)40-34(46)23(5)39-31(44)17-30(43)29(19-49-18-24-9-8-10-25(16-24)26-12-14-50-20-26)41-36(48)32(22(3)4)42-35(47)27-11-6-7-13-38-27/h6-14,16,20-23,28-30,32,43H,15,17-19H2,1-5H3,(H2,37,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)/t23-,28-,29-,30-,32-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibitory concentration against the human Cathepsin D


J Med Chem 48: 4400-9 (2005)


Article DOI: 10.1021/jm040884n
BindingDB Entry DOI: 10.7270/Q2R78DRQ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50076294
PNG
(1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1
Show InChI InChI=1S/C35H40ClN3O7/c1-24(40)38-16-13-27(14-17-38)35(43)39(15-12-26-10-11-32-33(19-26)46-23-45-32)21-31(41)30(18-25-6-3-2-4-7-25)37-34(42)22-44-29-9-5-8-28(36)20-29/h2-11,19-20,27,30-31,41H,12-18,21-23H2,1H3,(H,37,42)/t30-,31-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D


J Med Chem 42: 1428-40 (1999)


Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50281636
PNG
((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin D


Bioorg Med Chem Lett 3: 819-824 (1993)


Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50209559
PNG
((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1
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2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin D


Bioorg Med Chem 17: 5933-49 (2009)


Article DOI: 10.1016/j.bmc.2009.06.065
BindingDB Entry DOI: 10.7270/Q2S46S0X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045292
PNG
((S)-2-[(S)-2-(Morpholine-4-sulfonylamino)-3-phenyl...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C32H52N4O7S/c1-4-11-26(31(39)34-27(21-24-12-7-5-8-13-24)30(38)29(37)20-23(2)3)33-32(40)28(22-25-14-9-6-10-15-25)35-44(41,42)36-16-18-43-19-17-36/h4,6,9-10,14-15,23-24,26-30,35,37-38H,1,5,7-8,11-13,16-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29-,30+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50169098
PNG
(CHEMBL264770 | Pyridine-2-carboxylic acid {(S)-1-[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C38H50N6O7/c1-23(2)19-30(35(39)47)42-36(48)25(5)41-33(46)20-32(45)31(22-51-21-26-14-16-28(17-15-26)27-11-7-6-8-12-27)43-38(50)34(24(3)4)44-37(49)29-13-9-10-18-40-29/h6-18,23-25,30-32,34,45H,19-22H2,1-5H3,(H2,39,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t25-,30-,31-,32-,34-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibitory concentration against the human Cathepsin D


J Med Chem 48: 4400-9 (2005)


Article DOI: 10.1021/jm040884n
BindingDB Entry DOI: 10.7270/Q2R78DRQ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50084626
PNG
(CHEMBL284440 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N...)
Show SMILES O[C@@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C38H35Cl2N3O8/c39-26-11-13-32(29(40)20-26)49-22-35(45)41-30(18-24-6-2-1-3-7-24)31(44)21-42(16-14-25-10-12-33-34(19-25)51-23-50-33)36(46)15-17-43-37(47)27-8-4-5-9-28(27)38(43)48/h1-13,19-20,30-31,44H,14-18,21-23H2,(H,41,45)/t30-,31-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human Cathepsin D


J Med Chem 45: 1412-9 (2002)


Article DOI: 10.1021/jm010338j
BindingDB Entry DOI: 10.7270/Q25T3JSH
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045284
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CC[C@H](C)CNC(=O)C(F)(F)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C34H53F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-30,40,42H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-,30+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50169100
PNG
(CHEMBL191260 | Pyridine-2-carboxylic acid {(S)-1-[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccsc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C36H48N6O7S/c1-21(2)16-28(33(37)45)40-34(46)23(5)39-31(44)17-30(43)29(19-49-18-24-9-11-25(12-10-24)26-13-15-50-20-26)41-36(48)32(22(3)4)42-35(47)27-8-6-7-14-38-27/h6-15,20-23,28-30,32,43H,16-19H2,1-5H3,(H2,37,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)/t23-,28-,29-,30-,32-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibitory concentration against the human Cathepsin D


J Med Chem 48: 4400-9 (2005)


Article DOI: 10.1021/jm040884n
BindingDB Entry DOI: 10.7270/Q2R78DRQ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50333943
PNG
(CHEMBL1644461 | N1-((2S,3S,5S)-5-((S)-1-(benzylami...)
Show SMILES CC(C)[C@H](C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C46H59N5O8S/c1-30(2)39(45(55)50-42(31(3)4)46(56)47-27-33-17-11-8-12-18-33)26-41(52)40(29-59-28-34-19-13-9-14-20-34)49-44(54)37-23-36(24-38(25-37)51(6)60(7,57)58)43(53)48-32(5)35-21-15-10-16-22-35/h8-25,30-32,39-42,52H,26-29H2,1-7H3,(H,47,56)(H,48,53)(H,49,54)(H,50,55)/t32-,39+,40+,41+,42+/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 21: 358-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.140
BindingDB Entry DOI: 10.7270/Q2HM58RJ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50169106
PNG
(CHEMBL363286 | Pyridine-2-carboxylic acid ((S)-1-{...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(c1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C38H50N6O7/c1-23(2)18-30(35(39)47)42-36(48)25(5)41-33(46)20-32(45)31(22-51-21-26-12-11-15-28(19-26)27-13-7-6-8-14-27)43-38(50)34(24(3)4)44-37(49)29-16-9-10-17-40-29/h6-17,19,23-25,30-32,34,45H,18,20-22H2,1-5H3,(H2,39,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t25-,30-,31-,32-,34-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibitory concentration against the human Cathepsin D


J Med Chem 48: 4400-9 (2005)


Article DOI: 10.1021/jm040884n
BindingDB Entry DOI: 10.7270/Q2R78DRQ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50076293
PNG
(1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc2OCOc2c1)C(=O)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C43H49N3O9/c1-29(47)45-20-17-33(18-21-45)43(50)46(19-16-31-14-15-37-38(23-31)55-28-54-37)26-36(48)35(22-30-10-6-4-7-11-30)44-42(49)34-24-39(51-2)41(40(25-34)52-3)53-27-32-12-8-5-9-13-32/h4-15,23-25,33,35-36,48H,16-22,26-28H2,1-3H3,(H,44,49)/t35-,36-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D


J Med Chem 42: 1428-40 (1999)


Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM7977
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C32H45BrN6O7/c1-18(2)14-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-11-22(33)12-10-21)38-32(45)28(19(3)4)39-31(44)23-8-6-7-13-35-23/h6-13,18-20,24-26,28,40H,14-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibitory concentration against the human Cathepsin D


J Med Chem 48: 4400-9 (2005)


Article DOI: 10.1021/jm040884n
BindingDB Entry DOI: 10.7270/Q2R78DRQ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM7977
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C32H45BrN6O7/c1-18(2)14-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-11-22(33)12-10-21)38-32(45)28(19(3)4)39-31(44)23-8-6-7-13-35-23/h6-13,18-20,24-26,28,40H,14-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Linkoping 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 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50110934
PNG
(CHEMBL30483 | N-((1S,3S)-1-Benzyl-3-{[2-(2,4-dichl...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C38H36BrCl2N3O7/c1-50-33-20-28(29(39)21-34(33)51-2)36(47)42-31(18-23-8-4-3-5-9-23)32(45)22-43(16-14-24-12-13-25(40)19-30(24)41)35(46)15-17-44-37(48)26-10-6-7-11-27(26)38(44)49/h3-13,19-21,31-32,45H,14-18,22H2,1-2H3,(H,42,47)/t31-,32-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human Cathepsin D


J Med Chem 45: 1412-9 (2002)


Article DOI: 10.1021/jm010338j
BindingDB Entry DOI: 10.7270/Q25T3JSH
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045282
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C31H50N4O7S/c1-3-11-26(30(38)33-27(29(37)22-25(36)4-2)20-23-12-7-5-8-13-23)32-31(39)28(21-24-14-9-6-10-15-24)34-43(40,41)35-16-18-42-19-17-35/h3,6,9-10,14-15,23,25-29,34,36-37H,1,4-5,7-8,11-13,16-22H2,2H3,(H,32,39)(H,33,38)/t25-,26+,27+,28+,29+/m1/s1
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5.40n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50076291
PNG
(1-Methyl-piperidine-4-carboxylic acid (2-benzo[1,3...)
Show SMILES CN1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1
Show InChI InChI=1S/C34H40ClN3O6/c1-37-15-13-26(14-16-37)34(41)38(17-12-25-10-11-31-32(19-25)44-23-43-31)21-30(39)29(18-24-6-3-2-4-7-24)36-33(40)22-42-28-9-5-8-27(35)20-28/h2-11,19-20,26,29-30,39H,12-18,21-23H2,1H3,(H,36,40)/t29-,30-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D


J Med Chem 42: 1428-40 (1999)


Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045283
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C31H50N4O7S/c1-3-11-26(30(38)33-27(29(37)22-25(36)4-2)20-23-12-7-5-8-13-23)32-31(39)28(21-24-14-9-6-10-15-24)34-43(40,41)35-16-18-42-19-17-35/h3,6,9-10,14-15,23,25-29,34,36-37H,1,4-5,7-8,11-13,16-22H2,2H3,(H,32,39)(H,33,38)/t25-,26-,27-,28-,29-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
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))
BDBM50084626
PNG
(CHEMBL284440 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N...)
Show SMILES O[C@@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C38H35Cl2N3O8/c39-26-11-13-32(29(40)20-26)49-22-35(45)41-30(18-24-6-2-1-3-7-24)31(44)21-42(16-14-25-10-12-33-34(19-25)51-23-50-33)36(46)15-17-43-37(47)27-8-4-5-9-28(27)38(43)48/h1-13,19-20,30-31,44H,14-18,21-23H2,(H,41,45)/t30-,31-/m0/s1
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9n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity against aspartic proteases


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50076292
PNG
(1-Methyl-piperidine-4-carboxylic acid {(2S,3S)-3-[...)
Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C34H42ClN3O5/c1-37-18-16-27(17-19-37)34(41)38(20-15-25-11-13-29(42-2)14-12-25)23-32(39)31(21-26-7-4-3-5-8-26)36-33(40)24-43-30-10-6-9-28(35)22-30/h3-14,22,27,31-32,39H,15-21,23-24H2,1-2H3,(H,36,40)/t31-,32-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D


J Med Chem 42: 1428-40 (1999)


Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50393892
PNG
(CHEMBL2158253)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Oc2sc(CC(C)(C)C)cc12
Show InChI InChI=1S/C26H38N2O3S/c1-17(29)28-21(12-18-10-8-7-9-11-18)23(30)16-27-22-15-26(5,6)31-24-20(22)13-19(32-24)14-25(2,3)4/h7-11,13,21-23,27,30H,12,14-16H2,1-6H3,(H,28,29)/t21-,22?,23+/m0/s1
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9.90n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after ...


Bioorg Med Chem Lett 22: 6721-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.097
BindingDB Entry DOI: 10.7270/Q2MS3TVD
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50333944
PNG
((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...)
Show SMILES CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(C)NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H53N5O8S2/c1-24(2)33(38(49)44-40(54-25(3)4)39(50)41-21-27-12-9-8-10-13-27)20-35(46)34-23-53-22-28-14-11-15-29(16-28)26(5)42-36(47)30-17-31(37(48)43-34)19-32(18-30)45(6)55(7,51)52/h8-19,24-26,33-35,40,46H,20-23H2,1-7H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)/t26?,33-,34-,35-,40-/m0/s1
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13n/an/an/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 21: 358-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.140
BindingDB Entry DOI: 10.7270/Q2HM58RJ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50045288
PNG
(CHEMBL329220 | N-(1-Cyclohexylmethyl-2,4-dihydroxy...)
Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)OC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C31H50N4O9S/c1-3-24(36)20-28(37)25(18-22-10-6-4-7-11-22)32-30(39)26(21-29(38)43-2)33-31(40)27(19-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,22,24-28,34,36-37H,3-4,6-7,10-11,14-21H2,1-2H3,(H,32,39)(H,33,40)/t24-,25+,26+,27+,28+/m1/s1
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13n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
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))
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))
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))
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 -11.1n/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))
BDBM50045287
PNG
(CHEMBL88526 | N-[Allylsulfanyl-(1-cyclohexylmethyl...)
Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)SCC=C
Show InChI InChI=1S/C31H50N4O7S2/c1-3-19-43-31(30(39)32-26(28(37)22-25(36)4-2)20-23-11-7-5-8-12-23)33-29(38)27(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h3,6,9-10,13-14,23,25-28,31,34,36-37H,1,4-5,7-8,11-12,15-22H2,2H3,(H,32,39)(H,33,38)/t25-,26-,27-,28-,31?/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50076286
PNG
(CHEMBL34051 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N-...)
Show SMILES O[C@@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1
Show InChI InChI=1S/C38H36ClN3O8/c39-27-9-6-10-28(21-27)48-23-35(44)40-31(19-25-7-2-1-3-8-25)32(43)22-41(17-15-26-13-14-33-34(20-26)50-24-49-33)36(45)16-18-42-37(46)29-11-4-5-12-30(29)38(42)47/h1-14,20-21,31-32,43H,15-19,22-24H2,(H,40,44)/t31-,32-/m0/s1
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15n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D


J Med Chem 42: 1428-40 (1999)


Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50274090
PNG
(4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarb...)
Show SMILES COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc1
Show InChI InChI=1S/C40H57F2N5O10S/c1-22(2)33(36(51)43-20-24-10-12-25(13-11-24)38(53)55-8)46-32(49)19-31(48)30(21-56-28-17-26(41)16-27(42)18-28)45-35(50)29(14-15-58-9)44-37(52)34(23(3)4)47-39(54)57-40(5,6)7/h10-13,16-18,22-23,29-31,33-34,48H,14-15,19-21H2,1-9H3,(H,43,51)(H,44,52)(H,45,50)(H,46,49)(H,47,54)/t29-,30-,31-,33-,34-/m0/s1
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15n/an/an/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D


Bioorg Med Chem 16: 9471-86 (2008)


Article DOI: 10.1016/j.bmc.2008.09.041
BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50008139
PNG
(2-[2-(Morpholine-4-sulfonylamino)-3-phenyl-propion...)
Show SMILES FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin D


J Med Chem 36: 2614-20 (1993)


Article DOI: 10.1021/jm00070a004
BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM7974
PNG
((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C31H44N6O6/c1-18(2)15-24(28(32)40)36-29(41)20(5)34-26(39)17-25(38)23(16-21-11-7-6-8-12-21)35-31(43)27(19(3)4)37-30(42)22-13-9-10-14-33-22/h6-14,18-20,23-25,27,38H,15-17H2,1-5H3,(H2,32,40)(H,34,39)(H,35,43)(H,36,41)(H,37,42)/t20-,23-,24-,25-,27-/m0/s1
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21n/an/an/an/an/an/an/an/a



Linkoping 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 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM7974
PNG
((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C31H44N6O6/c1-18(2)15-24(28(32)40)36-29(41)20(5)34-26(39)17-25(38)23(16-21-11-7-6-8-12-21)35-31(43)27(19(3)4)37-30(42)22-13-9-10-14-33-22/h6-14,18-20,23-25,27,38H,15-17H2,1-5H3,(H2,32,40)(H,34,39)(H,35,43)(H,36,41)(H,37,42)/t20-,23-,24-,25-,27-/m0/s1
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21n/an/an/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibitory concentration against the human Cathepsin D


J Med Chem 48: 4400-9 (2005)


Article DOI: 10.1021/jm040884n
BindingDB Entry DOI: 10.7270/Q2R78DRQ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50274091
PNG
(4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarb...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C39H55F2N5O10S/c1-21(2)32(35(50)42-19-23-9-11-24(12-10-23)37(52)53)45-31(48)18-30(47)29(20-55-27-16-25(40)15-26(41)17-27)44-34(49)28(13-14-57-8)43-36(51)33(22(3)4)46-38(54)56-39(5,6)7/h9-12,15-17,21-22,28-30,32-33,47H,13-14,18-20H2,1-8H3,(H,42,50)(H,43,51)(H,44,49)(H,45,48)(H,46,54)(H,52,53)/t28-,29-,30-,32-,33-/m0/s1
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24n/an/an/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D


Bioorg Med Chem 16: 9471-86 (2008)


Article DOI: 10.1016/j.bmc.2008.09.041
BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
More data for this
Ligand-Target Pair
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