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Compile Data Set for Download or QSAR

Found 2818 hits Enz. Inhib. hit(s) with Target = 'Cathepsin D'   
Target
(Institution)
LigandTarget
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))
BDBM50400214
PNG
(CHEMBL2181022)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C55H76N8O12/c1-34(2)29-41(49(67)57-36(5)51(69)62(7)44(31-38-21-14-10-15-22-38)52(70)63-28-18-25-43(63)54(72)74-8)58-47(66)32-45(64)40(30-37-19-12-9-13-20-37)59-50(68)42(26-27-46(56)65)61(6)53(71)48(35(3)4)60-55(73)75-33-39-23-16-11-17-24-39/h9-17,19-24,34-36,40-45,48,64H,18,25-33H2,1-8H3,(H2,56,65)(H,57,67)(H,58,66)(H,59,68)(H,60,73)/t36-,40-,41-,42-,43-,44+,45-,48-/m0/s1
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n/an/a 0.0783n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by fluorescence assay


J Med Chem 55: 10749-65 (2012)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50400213
PNG
(CHEMBL2181024)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C52H78N8O12/c1-31(2)27-37(45(64)54-33(5)47(66)59(10)40(29-35-21-16-13-17-22-35)48(67)60-26-18-23-39(60)50(69)71-11)55-43(63)30-41(61)36(28-34-19-14-12-15-20-34)56-46(65)38(24-25-42(53)62)58(9)49(68)44(32(3)4)57-51(70)72-52(6,7)8/h12-17,19-22,31-33,36-41,44,61H,18,23-30H2,1-11H3,(H2,53,62)(H,54,64)(H,55,63)(H,56,65)(H,57,70)/t33-,36-,37-,38-,39-,40+,41-,44-/m0/s1
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n/an/a 0.126n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by fluorescence assay


J Med Chem 55: 10749-65 (2012)

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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n/an/a 0.350n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin D using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate preincubated for 15 mins followe...


Bioorg Med Chem 24: 3276-82 (2016)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50377588
PNG
(CHEMBL257594)
Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C
Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)
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n/an/a 0.5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D by FRET assay


Bioorg Med Chem Lett 18: 3011-5 (2008)

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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n/an/a 0.550n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D by FRET assay


Bioorg Med Chem Lett 18: 3011-5 (2008)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50312541
PNG
(((S)-1-[(S)-1-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H61F2N5O8S/c1-24(2)34(38(52)44-21-27-13-11-10-12-14-27)47-36(50)26(5)17-33(49)32(23-55-22-28-18-29(42)20-30(43)19-28)46-37(51)31(15-16-57-9)45-39(53)35(25(3)4)48-40(54)56-41(6,7)8/h10-14,18-20,24-26,31-35,49H,15-17,21-23H2,1-9H3,(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,48,54)/t26-,31+,32+,33+,34+,35+/m1/s1
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n/an/a 0.630n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin D after 20 mins by homogeneous time resolved fluorescence assay


Eur J Med Chem 45: 870-82 (2010)

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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n/an/a 0.693n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by fluorescence assay


J Med Chem 55: 10749-65 (2012)

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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n/an/a 0.700n/an/an/an/an/an/a



Bayer Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human liver Cathepsin D using Cathepsin D assay.


Bioorg Med Chem Lett 9: 2531-6 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin D


(Homo sapiens (human))
BDBM50437552
PNG
(CHEMBL2407339)
Show SMILES CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(CC=C)c3)NC(=O)CCCC=C)c2c1
Show InChI InChI=1S/C35H49N3O3/c1-6-8-9-15-32(40)38-29(20-26-14-10-13-25(18-26)12-7-2)31(39)24-36-30-22-35(16-11-17-35)41-33-28(30)19-27(23-37-33)21-34(3,4)5/h6-7,10,13-14,18-19,23,29-31,36,39H,1-2,8-9,11-12,15-17,20-22,24H2,3-5H3,(H,38,40)/t29-,30-,31+/m0/s1
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n/an/a 0.840n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin D (unknown origin) by FRET assay


Bioorg Med Chem Lett 23: 4459-64 (2013)

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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n/an/a<1n/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)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM232262
PNG
(US9345742, 20)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1/C42H64N6O8/c1-11-27(6)36(39(52)48-35(26(4)5)40(53)55-10)46-33(49)24-30(43)31(22-28-18-14-12-15-19-28)44-38(51)34(25(2)3)47-37(50)32(23-29-20-16-13-17-21-29)45-41(54)56-42(7,8)9/h12-21,25-27,30-32,34-36H,11,22-24,43H2,1-10H3,(H,44,51)(H,45,54)(H,46,49)(H,47,50)(H,48,52)/t27-,30-,31-,32-,34-,35-,36-/s2
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n/an/a 1n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US9345742 (2016)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50438363
PNG
(CHEMBL2408751)
Show SMILES CCC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1
Show InChI InChI=1S/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022521
PNG
(Boc-Phe-His-Cha-CH2-S-Leu-NHCO(CH2)2C6H5 | CHEMBL3...)
Show SMILES CC(C)CC(NC(=O)CCc1ccccc1)SCC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H64N6O6S/c1-30(2)23-40(50-39(52)22-21-31-15-9-6-10-16-31)57-28-38(51)35(24-32-17-11-7-12-18-32)47-42(54)37(26-34-27-45-29-46-34)48-41(53)36(25-33-19-13-8-14-20-33)49-43(55)56-44(3,4)5/h6,8-10,13-16,19-20,27,29-30,32,35-38,40,51H,7,11-12,17-18,21-26,28H2,1-5H3,(H,45,46)(H,47,54)(H,48,53)(H,49,55)(H,50,52)/t35?,36-,37-,38?,40?/m0/s1
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University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D at pH 3.1


J Med Chem 31: 625-9 (1988)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50294218
PNG
((3S,14R,16S)-16-((R)-1-hydroxy-2-((S)-6-isopropyl-...)
Show SMILES CC(C)c1ccc2OC(C)(C)C[C@H](NC[C@@H](O)[C@@H]3C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N3)c2c1
Show InChI InChI=1S/C33H55N3O4/c1-22(2)25-16-17-30-26(19-25)28(20-33(5,6)40-30)34-21-29(37)27-18-23(3)14-12-10-8-9-11-13-15-31(38)36(7)24(4)32(39)35-27/h16-17,19,22-24,27-29,34,37H,8-15,18,20-21H2,1-7H3,(H,35,39)/t23-,24+,27+,28+,29-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D


Bioorg Med Chem Lett 19: 1366-70 (2009)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50305527
PNG
((4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phe...)
Show SMILES COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C)c3
Show InChI InChI=1S/C35H45N3O4/c1-24(2)27-9-7-10-29(20-27)35(12-13-35)37-22-33(39)32-19-25-8-6-11-31(18-25)42-15-5-4-14-36-30-17-26(23-41-3)16-28(21-30)34(40)38-32/h6-11,16-18,20-21,24,32-33,36-37,39H,4-5,12-15,19,22-23H2,1-3H3,(H,38,40)/t32-,33+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedicalResearch

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 20: 603-7 (2010)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022510
PNG
(Boc-Phe-His-Leu-CF3-Ile-Amp | CHEMBL154795)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25-,29?,30-,31-,32-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D at pH 3.2


J Med Chem 31: 625-9 (1988)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50438362
PNG
(CHEMBL2408752)
Show SMILES CCC[C@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1
Show InChI InChI=1S/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50437542
PNG
(CHEMBL2407492)
Show SMILES CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@@H]3Cc4cccc(CCCn5cc(ccc5=O)C(=O)N3)c4)c2c1
Show InChI InChI=1S/C35H44N4O4/c1-34(2,3)18-25-16-27-29(19-35(12-6-13-35)43-33(27)37-20-25)36-21-30(40)28-17-24-8-4-7-23(15-24)9-5-14-39-22-26(32(42)38-28)10-11-31(39)41/h4,7-8,10-11,15-16,20,22,28-30,36,40H,5-6,9,12-14,17-19,21H2,1-3H3,(H,38,42)/t28-,29-,30+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin D (unknown origin) by FRET assay


Bioorg Med Chem Lett 23: 4459-64 (2013)

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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n/an/a 2n/an/an/an/an/an/a



Bayer Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human liver Cathepsin D using Cathepsin D assay.


Bioorg Med Chem Lett 9: 2531-6 (1999)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383837
PNG
(CHEMBL2030998)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(11-18-8-20(29)12-21(30)9-18)25(35)16-31-24-14-28(6-5-7-28)36-26-22(24)10-19(15-32-26)13-27(2,3)4/h8-10,12,15,23-25,31,35H,5-7,11,13-14,16H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)

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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n/an/a 2.30n/an/an/an/an/an/a



Institute of Medicinal and Aromatic Plants

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D


Bioorg Med Chem Lett 16: 4603-8 (2006)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50305536
PNG
((S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyc...)
Show SMILES COCc1cc2cc(OCCCCOc3cccc(C[C@H](NC2=O)[C@H](O)CNC2(CC2)c2cccc(c2)C(C)C)c3)n1
Show InChI InChI=1S/C34H43N3O5/c1-23(2)25-9-7-10-27(18-25)34(12-13-34)35-21-31(38)30-17-24-8-6-11-29(16-24)41-14-4-5-15-42-32-20-26(33(39)37-30)19-28(36-32)22-40-3/h6-11,16,18-20,23,30-31,35,38H,4-5,12-15,17,21-22H2,1-3H3,(H,37,39)/t30-,31+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for BioMedicalResearch

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 20: 603-7 (2010)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383839
PNG
(CHEMBL2030997)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-6-8-21(29)9-7-19)25(34)17-30-24-15-28(10-5-11-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h6-9,12,16,23-25,30,34H,5,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM232279
PNG
(US9345742, 37)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1/C37H52F3N5O7/c1-7-22(5)32(43-29(46)19-25-15-12-16-26(17-25)52-37(38,39)40)34(48)42-28(18-24-13-10-9-11-14-24)27(41)20-30(47)44-33(23(6)8-2)35(49)45-31(21(3)4)36(50)51/h9-17,21-23,27-28,31-33H,7-8,18-20,41H2,1-6H3,(H,42,48)(H,43,46)(H,44,47)(H,45,49)(H,50,51)/t22-,23-,27-,28-,31-,32-,33-/s2
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n/an/a 3.20n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US9345742 (2016)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50302846
PNG
(CHEMBL570165 | benzyl 3-((2R,3S)-3-acetamido-4-(3,...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(C1)C(=O)OCc1ccccc1)c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C35H43F2N3O4/c1-24(41)39-31(18-26-16-29(36)20-30(37)17-26)32(42)21-38-35(28-13-8-12-27(19-28)34(2,3)4)14-9-15-40(23-35)33(43)44-22-25-10-6-5-7-11-25/h5-8,10-13,16-17,19-20,31-32,38,42H,9,14-15,18,21-23H2,1-4H3,(H,39,41)/t31-,32+,35?/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D assessed as reduction in polarization after 110 mins by oregon green based fluorescence polarization assay


Bioorg Med Chem Lett 19: 6386-91 (2009)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM232284
PNG
(US9345742, 42)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(C)C)C(=O)N[C@H](CO)C(C)C
Show InChI InChI=1/C41H64N6O6/c1-9-28(8)38(41(53)45-34(24-48)26(4)5)46-36(50)23-31(42)32(21-29-16-12-10-13-17-29)44-40(52)37(27(6)7)47-39(51)33(43-35(49)20-25(2)3)22-30-18-14-11-15-19-30/h10-19,25-28,31-34,37-38,48H,9,20-24,42H2,1-8H3,(H,43,49)(H,44,52)(H,45,53)(H,46,50)(H,47,51)/t28-,31-,32-,33-,34+,37-,38-/s2
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n/an/a 3.60n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US9345742 (2016)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM232270
PNG
(US9345742, 28)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1/C46H66N6O7/c1-27(2)22-37(48-39(53)23-28(3)4)43(55)51-41(29(5)6)45(57)50-36(24-31-16-11-10-12-17-31)35(47)26-40(54)49-38(44(56)52-42(30(7)8)46(58)59-9)25-33-20-15-19-32-18-13-14-21-34(32)33/h10-21,27-30,35-38,41-42H,22-26,47H2,1-9H3,(H,48,53)(H,49,54)(H,50,57)(H,51,55)(H,52,56)/t35-,36-,37-,38-,41-,42-/s2
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n/an/a 3.70n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US9345742 (2016)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM232261
PNG
(US9345742, 19)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1/C42H64N6O7/c1-10-28(8)38(41(53)48-37(27(6)7)42(54)55-9)46-35(50)24-31(43)32(22-29-17-13-11-14-18-29)45-40(52)36(26(4)5)47-39(51)33(44-34(49)21-25(2)3)23-30-19-15-12-16-20-30/h11-20,25-28,31-33,36-38H,10,21-24,43H2,1-9H3,(H,44,49)(H,45,52)(H,46,50)(H,47,51)(H,48,53)/t28-,31-,32-,33-,36-,37-,38-/s2
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n/an/a 3.90n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US9345742 (2016)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383846
PNG
(CHEMBL2031142)
Show SMILES C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)c(F)c1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2
Show InChI InChI=1S/C29H39F2N3O3/c1-17-11-29(12-17)14-25(21-8-20(13-28(3,4)5)15-33-27(21)37-29)32-16-26(36)24(34-18(2)35)10-19-6-7-22(30)23(31)9-19/h6-9,15,17,24-26,32,36H,10-14,16H2,1-5H3,(H,34,35)/t17-,24-,25-,26+,29-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022510
PNG
(Boc-Phe-His-Leu-CF3-Ile-Amp | CHEMBL154795)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)45-22-27-16-12-13-17-44-27)50-37(55)40(41,42)33(51)29(18-24(2)3)47-35(53)31(20-28-21-43-23-46-28)48-34(52)30(19-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-17,21,23-25,29-32H,8,18-20,22H2,1-7H3,(H,43,46)(H,45,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25-,29?,30-,31-,32-/m0/s1
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University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D at pH 3.1


J Med Chem 31: 625-9 (1988)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383838
PNG
(CHEMBL2030996)
Show SMILES CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-7-5-8-21(29)11-19)25(34)17-30-24-15-28(9-6-10-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h5,7-8,11-12,16,23-25,30,34H,6,9-10,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
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Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM232275
PNG
(US9345742, 33)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1/C41H62N6O7/c1-9-27(8)37(40(52)47-36(26(6)7)41(53)54)45-34(49)23-30(42)31(21-28-16-12-10-13-17-28)44-39(51)35(25(4)5)46-38(50)32(43-33(48)20-24(2)3)22-29-18-14-11-15-19-29/h10-19,24-27,30-32,35-37H,9,20-23,42H2,1-8H3,(H,43,48)(H,44,51)(H,45,49)(H,46,50)(H,47,52)(H,53,54)/t27-,30-,31-,32-,35-,36-,37-/s2
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n/an/a 4.10n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US9345742 (2016)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50437546
PNG
(CHEMBL2407487)
Show SMILES CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@@H]3Cc4cccc(CCCCCCC(=O)N3)c4)c2c1
Show InChI InChI=1S/C33H47N3O3/c1-32(2,3)19-25-17-26-28(20-33(14-9-15-33)39-31(26)35-21-25)34-22-29(37)27-18-24-12-8-11-23(16-24)10-6-4-5-7-13-30(38)36-27/h8,11-12,16-17,21,27-29,34,37H,4-7,9-10,13-15,18-20,22H2,1-3H3,(H,36,38)/t27-,28-,29+/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin D (unknown origin) by FRET assay


Bioorg Med Chem Lett 23: 4459-64 (2013)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50392776
PNG
(CHEMBL2151151)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H39N3O3/c1-19(32)31-23(14-20-9-6-5-7-10-20)25(33)18-29-24-16-28(11-8-12-28)34-26-22(24)13-21(17-30-26)15-27(2,3)4/h5-7,9-10,13,17,23-25,29,33H,8,11-12,14-16,18H2,1-4H3,(H,31,32)/t23-,24-,25+/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin D (unknown origin) by FRET assay


Bioorg Med Chem Lett 23: 4459-64 (2013)

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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n/an/a 5n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D in human MCF7 cells by fluorescence assay


J Med Chem 52: 5732-47 (2009)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50438361
PNG
(CHEMBL2408753)
Show SMILES COC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1
Show InChI InChI=1S/C29H40F2N2O4/c1-18(34)33-24(12-20-9-21(30)13-22(31)10-20)26(35)16-32-25-15-29(5,17-36-6)37-27-8-7-19(11-23(25)27)14-28(2,3)4/h7-11,13,24-26,32,35H,12,14-17H2,1-6H3,(H,33,34)/t24-,25-,26+,29+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383841
PNG
(CHEMBL2031000)
Show SMILES C[C@H]1CC[C@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1
Show InChI InChI=1S/C29H40FN3O3/c1-18-10-11-29(18)15-25(23-12-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)13-20-6-8-22(30)9-7-20/h6-9,12,16,18,24-26,31,35H,10-11,13-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM232252
PNG
(US9345742, 10)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1/C39H66N6O7/c1-12-26(10)35(38(50)45-34(25(8)9)39(51)52-11)43-32(47)21-28(40)29(20-27-16-14-13-15-17-27)42-37(49)33(24(6)7)44-36(48)30(18-22(2)3)41-31(46)19-23(4)5/h13-17,22-26,28-30,33-35H,12,18-21,40H2,1-11H3,(H,41,46)(H,42,49)(H,43,47)(H,44,48)(H,45,50)/t26-,28-,29-,30-,33-,34-,35-/s2
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n/an/a 5.10n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US9345742 (2016)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM232257
PNG
(US9345742, 15)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1/C42H64N6O7/c1-25(2)20-33(44-35(49)21-26(3)4)39(51)47-37(27(5)6)41(53)46-32(22-29-16-12-10-13-17-29)31(43)24-36(50)45-34(23-30-18-14-11-15-19-30)40(52)48-38(28(7)8)42(54)55-9/h10-19,25-28,31-34,37-38H,20-24,43H2,1-9H3,(H,44,49)(H,45,50)(H,46,53)(H,47,51)(H,48,52)/t31-,32-,33-,34-,37-,38-/s2
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n/an/a 5.70n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US9345742 (2016)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50400207
PNG
(CHEMBL2181011)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C54H69N7O11S/c1-34(2)27-44(51(66)56-36(4)52(67)59(5)46(29-38-21-14-10-15-22-38)53(68)61-26-18-25-45(61)54(69)72-7)57-48(63)33-47(62)43(28-37-19-12-9-13-20-37)58-50(65)41-30-40(31-42(32-41)60(6)73(8,70)71)49(64)55-35(3)39-23-16-11-17-24-39/h9-17,19-24,30-32,34-36,43-47,62H,18,25-29,33H2,1-8H3,(H,55,64)(H,56,66)(H,57,63)(H,58,65)/t35-,36+,43+,44+,45+,46-,47+/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by fluorescence assay


J Med Chem 55: 10749-65 (2012)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50438360
PNG
(CHEMBL2408755)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CC2)Oc2ccc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H36F2N2O3/c1-17(33)32-23(12-19-9-20(29)13-21(30)10-19)25(34)16-31-24-15-28(7-8-28)35-26-6-5-18(11-22(24)26)14-27(2,3)4/h5-6,9-11,13,23-25,31,34H,7-8,12,14-16H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16047
PNG
((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1
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n/an/a 6n/an/an/an/a3.122



Universite de Montreal at Succursale Centre-Ville



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 ...


J Med Chem 48: 5175-90 (2005)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM232276
PNG
(US9345742, 34)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@H](CO)C(C)C
Show InChI InChI=1/C38H66N6O6/c1-11-26(10)35(38(50)42-31(21-45)24(6)7)43-33(47)20-28(39)29(19-27-15-13-12-14-16-27)41-37(49)34(25(8)9)44-36(48)30(17-22(2)3)40-32(46)18-23(4)5/h12-16,22-26,28-31,34-35,45H,11,17-21,39H2,1-10H3,(H,40,46)(H,41,49)(H,42,50)(H,43,47)(H,44,48)/t26-,28-,29-,30-,31+,34-,35-/s2
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n/an/a 6.20n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US9345742 (2016)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022508
PNG
(Boc-Pro-Phe-NMe-His-Leu-OHCH2-Val-Ile-Amp | CHEMBL...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37?,38?,39-,40-,41-,42?,43-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D at pH 3.2


J Med Chem 31: 625-9 (1988)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50437554
PNG
(CHEMBL2407496)
Show SMILES CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(CC=C)c3)NC(=O)CCCC=C)c2c1
Show InChI InChI=1S/C33H44N2O3/c1-4-7-8-14-32(37)35-28(21-26-13-9-12-25(19-26)11-5-2)30(36)23-34-29-22-33(17-10-18-33)38-31-16-15-24(6-3)20-27(29)31/h4-5,9,12-13,15-16,19-20,28-30,34,36H,1-2,6-8,10-11,14,17-18,21-23H2,3H3,(H,35,37)/t28-,29-,30+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin D (unknown origin) by FRET assay


Bioorg Med Chem Lett 23: 4459-64 (2013)

More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022518
PNG
(CHEMBL407670 | Pro-His-Pro-Phe-His-Leu-CH2NH-Val-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H91N17O10/c1-7-37(6)51(58(84)74-47(26-40-29-63-33-68-40)55(81)71-44(60(86)87)17-11-12-20-61)76-57(83)50(36(4)5)66-31-42(23-35(2)3)70-53(79)46(25-39-28-62-32-67-39)72-54(80)45(24-38-15-9-8-10-16-38)73-56(82)49-19-14-22-77(49)59(85)48(27-41-30-64-34-69-41)75-52(78)43-18-13-21-65-43/h8-10,15-16,28-30,32-37,42-51,65-66H,7,11-14,17-27,31,61H2,1-6H3,(H,62,67)(H,63,68)(H,64,69)(H,70,79)(H,71,81)(H,72,80)(H,73,82)(H,74,84)(H,75,78)(H,76,83)(H,86,87)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D at pH 3.3(no inhibition)


J Med Chem 31: 625-9 (1988)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50400211
PNG
(CHEMBL2181013)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O
Show InChI InChI=1S/C43H61N7O10/c1-26(2)22-33(47-38(54)25-36(52)32(23-29-14-9-7-10-15-29)48-39(55)31(46-28(4)51)19-20-37(44)53)40(56)45-27(3)41(57)49(5)35(24-30-16-11-8-12-17-30)42(58)50-21-13-18-34(50)43(59)60-6/h7-12,14-17,26-27,31-36,52H,13,18-25H2,1-6H3,(H2,44,53)(H,45,56)(H,46,51)(H,47,54)(H,48,55)/t27-,31-,32-,33-,34-,35+,36-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by fluorescence assay


J Med Chem 55: 10749-65 (2012)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50438359
PNG
(CHEMBL2408760)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCCc2ccc(CC(C)(C)C)cc12
Show InChI InChI=1S/C27H36F2N2O2/c1-17(32)31-25(13-19-10-21(28)14-22(29)11-19)26(33)16-30-24-7-5-6-20-9-8-18(12-23(20)24)15-27(2,3)4/h8-12,14,24-26,30,33H,5-7,13,15-16H2,1-4H3,(H,31,32)/t24-,25-,26+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383844
PNG
(CHEMBL2031140)
Show SMILES C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2
Show InChI InChI=1S/C29H40FN3O3/c1-18-12-29(13-18)15-25(23-10-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)11-20-6-8-22(30)9-7-20/h6-10,16,18,24-26,31,35H,11-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50383848
PNG
(CHEMBL2031144)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-5-7-20(29)8-6-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)

More data for this
Ligand-Target Pair
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