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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50007120   
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))
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 |r|
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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MMDB
Article
PubMed
n/an/a 0.490n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506541
PNG
(CHEMBL4576166)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C32H47N3O4/c1-23(2)31-32(39)33-19-13-9-7-5-3-4-6-8-10-16-29(37)34-27(28(36)22-30(38)35-31)21-24-17-18-25-14-11-12-15-26(25)20-24/h11-12,14-15,17-18,20,23,27-28,31,36H,3-10,13,16,19,21-22H2,1-2H3,(H,33,39)(H,34,37)(H,35,38)/t27-,28-,31-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin D


(Homo sapiens (Human))
BDBM50506521
PNG
(CHEMBL4558691)
Show SMILES O[C@H]1CC(=O)N[C@@H](Cc2cccnc2)C(=O)NCCCCCCCCCCCC(=O)N[C@H]1Cc1ccccc1 |r|
Show InChI InChI=1S/C31H44N4O4/c36-28-22-30(38)35-27(21-25-16-13-18-32-23-25)31(39)33-19-12-7-5-3-1-2-4-6-11-17-29(37)34-26(28)20-24-14-9-8-10-15-24/h8-10,13-16,18,23,26-28,36H,1-7,11-12,17,19-22H2,(H,33,39)(H,34,37)(H,35,38)/t26-,27-,28-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506530
PNG
(CHEMBL4514021)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C28H45N3O5/c1-21(2)26-27(34)29-17-13-8-6-4-3-5-7-9-14-18-36-28(35)30-23(24(32)20-25(33)31-26)19-22-15-11-10-12-16-22/h10-12,15-16,21,23-24,26,32H,3-9,13-14,17-20H2,1-2H3,(H,29,34)(H,30,35)(H,31,33)/t23-,24-,26-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin D


(Homo sapiens (Human))
BDBM50506516
PNG
(CHEMBL4444244)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C28H43F2N3O4/c1-19(2)27-28(37)31-15-11-9-7-5-3-4-6-8-10-12-25(35)32-23(24(34)18-26(36)33-27)17-20-13-14-21(29)22(30)16-20/h13-14,16,19,23-24,27,34H,3-12,15,17-18H2,1-2H3,(H,31,37)(H,32,35)(H,33,36)/t23-,24-,27-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506535
PNG
(CHEMBL4560400)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C29H47N3O4/c1-22(2)28-29(36)30-19-15-10-8-6-4-3-5-7-9-14-18-26(34)31-24(25(33)21-27(35)32-28)20-23-16-12-11-13-17-23/h11-13,16-17,22,24-25,28,33H,3-10,14-15,18-21H2,1-2H3,(H,30,36)(H,31,34)(H,32,35)/t24-,25-,28-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506522
PNG
(CHEMBL4532529)
Show SMILES [H][C@]1(NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O)[C@H](C)CC |r|
Show InChI InChI=1S/C29H47N3O4/c1-3-22(2)28-29(36)30-19-15-10-8-6-4-5-7-9-14-18-26(34)31-24(25(33)21-27(35)32-28)20-23-16-12-11-13-17-23/h11-13,16-17,22,24-25,28,33H,3-10,14-15,18-21H2,1-2H3,(H,30,36)(H,31,34)(H,32,35)/t22-,24+,25+,28+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506517
PNG
(CHEMBL4569563)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C28H43Cl2N3O4/c1-19(2)27-28(37)31-15-11-9-7-5-3-4-6-8-10-12-25(35)32-23(24(34)18-26(36)33-27)17-20-13-14-21(29)22(30)16-20/h13-14,16,19,23-24,27,34H,3-12,15,17-18H2,1-2H3,(H,31,37)(H,32,35)(H,33,36)/t23-,24-,27-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506518
PNG
(CHEMBL4551750)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(F)cc2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C28H44FN3O4/c1-20(2)27-28(36)30-17-11-9-7-5-3-4-6-8-10-12-25(34)31-23(24(33)19-26(35)32-27)18-21-13-15-22(29)16-14-21/h13-16,20,23-24,27,33H,3-12,17-19H2,1-2H3,(H,30,36)(H,31,34)(H,32,35)/t23-,24-,27-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506514
PNG
(CHEMBL4576319)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C28H45N3O4/c1-21(2)27-28(35)29-18-14-9-7-5-3-4-6-8-13-17-25(33)30-23(24(32)20-26(34)31-27)19-22-15-11-10-12-16-22/h10-12,15-16,21,23-24,27,32H,3-9,13-14,17-20H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)/t23-,24-,27-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin D


(Homo sapiens (Human))
BDBM50506532
PNG
(CHEMBL4561907)
Show SMILES O[C@H]1CC(=O)N[C@@H](C2CCCCC2)C(=O)NCCCCCCCCCCCC(=O)N[C@H]1Cc1ccccc1 |r|
Show InChI InChI=1S/C31H49N3O4/c35-27-23-29(37)34-30(25-18-12-9-13-19-25)31(38)32-21-15-7-5-3-1-2-4-6-14-20-28(36)33-26(27)22-24-16-10-8-11-17-24/h8,10-11,16-17,25-27,30,35H,1-7,9,12-15,18-23H2,(H,32,38)(H,33,36)(H,34,37)/t26-,27-,30-/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506539
PNG
(CHEMBL4583528)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C28H51N3O4/c1-21(2)27-28(35)29-18-14-9-7-5-3-4-6-8-13-17-25(33)30-23(24(32)20-26(34)31-27)19-22-15-11-10-12-16-22/h21-24,27,32H,3-20H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)/t23-,24-,27-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506508
PNG
(CHEMBL4452510)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C30H49N3O4/c1-23(2)29-30(37)31-20-16-11-9-7-5-3-4-6-8-10-15-19-27(35)32-25(26(34)22-28(36)33-29)21-24-17-13-12-14-18-24/h12-14,17-18,23,25-26,29,34H,3-11,15-16,19-22H2,1-2H3,(H,31,37)(H,32,35)(H,33,36)/t25-,26-,29-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506529
PNG
(CHEMBL4474088)
Show SMILES O[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCCCCCCCCCC(=O)N[C@H]1Cc1ccccc1 |r|
Show InChI InChI=1S/C32H45N3O4/c36-29-24-31(38)35-28(23-26-18-12-9-13-19-26)32(39)33-21-15-7-5-3-1-2-4-6-14-20-30(37)34-27(29)22-25-16-10-8-11-17-25/h8-13,16-19,27-29,36H,1-7,14-15,20-24H2,(H,33,39)(H,34,37)(H,35,38)/t27-,28-,29-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506523
PNG
(CHEMBL4455874)
Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C31H50N4O5/c1-24(36)32-20-15-13-18-26-31(40)33-21-14-8-6-4-2-3-5-7-12-19-29(38)35-27(28(37)23-30(39)34-26)22-25-16-10-9-11-17-25/h9-11,16-17,26-28,37H,2-8,12-15,18-23H2,1H3,(H,32,36)(H,33,40)(H,34,39)(H,35,38)/t26-,27-,28-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506519
PNG
(CHEMBL4582805)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](CSCc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C29H47N3O4S/c1-22(2)28-29(36)30-18-14-9-7-5-3-4-6-8-13-17-26(34)31-24(25(33)19-27(35)32-28)21-37-20-23-15-11-10-12-16-23/h10-12,15-16,22,24-25,28,33H,3-9,13-14,17-21H2,1-2H3,(H,30,36)(H,31,34)(H,32,35)/t24-,25-,28-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506526
PNG
(CHEMBL4562486)
Show SMILES CC(C)[C@@H]1NC(=O)NC[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C28H46N4O4/c1-21(2)26-27(35)29-18-14-9-7-5-3-4-6-8-13-17-25(34)31-23(19-22-15-11-10-12-16-22)24(33)20-30-28(36)32-26/h10-12,15-16,21,23-24,26,33H,3-9,13-14,17-20H2,1-2H3,(H,29,35)(H,31,34)(H2,30,32,36)/t23-,24-,26-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506537
PNG
(CHEMBL4573241)
Show SMILES CC(C)C[C@@H]1NC(=O)CCCCCCCCCCCNC(=O)[C@@H](NC(=O)C[C@@H]1O)C(C)C |r|
Show InChI InChI=1S/C25H47N3O4/c1-18(2)16-20-21(29)17-23(31)28-24(19(3)4)25(32)26-15-13-11-9-7-5-6-8-10-12-14-22(30)27-20/h18-21,24,29H,5-17H2,1-4H3,(H,26,32)(H,27,30)(H,28,31)/t20-,21-,24-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506524
PNG
(CHEMBL4554001)
Show SMILES O[C@H]1CC(=O)N[C@@H](c2ccccc2)C(=O)NCCCCCCCCCCCC(=O)N[C@H]1Cc1ccccc1 |r|
Show InChI InChI=1S/C31H43N3O4/c35-27-23-29(37)34-30(25-18-12-9-13-19-25)31(38)32-21-15-7-5-3-1-2-4-6-14-20-28(36)33-26(27)22-24-16-10-8-11-17-24/h8-13,16-19,26-27,30,35H,1-7,14-15,20-23H2,(H,32,38)(H,33,36)(H,34,37)/t26-,27-,30-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506538
PNG
(CHEMBL4453458)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C31H51N3O4/c1-24(2)30-31(38)32-21-17-12-10-8-6-4-3-5-7-9-11-16-20-28(36)33-26(27(35)23-29(37)34-30)22-25-18-14-13-15-19-25/h13-15,18-19,24,26-27,30,35H,3-12,16-17,20-23H2,1-2H3,(H,32,38)(H,33,36)(H,34,37)/t26-,27-,30-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506520
PNG
(CHEMBL4455141)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C28H45N3O5/c1-20(2)27-28(36)29-17-11-9-7-5-3-4-6-8-10-12-25(34)30-23(24(33)19-26(35)31-27)18-21-13-15-22(32)16-14-21/h13-16,20,23-24,27,32-33H,3-12,17-19H2,1-2H3,(H,29,36)(H,30,34)(H,31,35)/t23-,24-,27-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506515
PNG
(CHEMBL4468607)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C27H43N3O4/c1-20(2)26-27(34)28-17-13-8-6-4-3-5-7-12-16-24(32)29-22(23(31)19-25(33)30-26)18-21-14-10-9-11-15-21/h9-11,14-15,20,22-23,26,31H,3-8,12-13,16-19H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)/t22-,23-,26-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506511
PNG
(CHEMBL4591760)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1S/C26H48N4O7/c1-13(2)10-18(19(31)12-21(33)27-17(9)26(36)37)28-24(34)23(16(7)8)30-25(35)22(15(5)6)29-20(32)11-14(3)4/h13-19,22-23,31H,10-12H2,1-9H3,(H,27,33)(H,28,34)(H,29,32)(H,30,35)(H,36,37)/t17-,18-,19-,22-,23-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506534
PNG
(CHEMBL4536689)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C35H51N3O5/c1-26(2)34-35(42)36-22-14-9-7-5-3-4-6-8-13-17-32(40)37-30(31(39)24-33(41)38-34)23-27-18-20-29(21-19-27)43-25-28-15-11-10-12-16-28/h10-12,15-16,18-21,26,30-31,34,39H,3-9,13-14,17,22-25H2,1-2H3,(H,36,42)(H,37,40)(H,38,41)/t30-,31-,34-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506513
PNG
(CHEMBL4465469)
Show SMILES C[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C26H41N3O4/c1-20-26(33)27-17-13-8-6-4-2-3-5-7-12-16-24(31)29-22(23(30)19-25(32)28-20)18-21-14-10-9-11-15-21/h9-11,14-15,20,22-23,30H,2-8,12-13,16-19H2,1H3,(H,27,33)(H,28,32)(H,29,31)/t20-,22-,23-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506540
PNG
(CHEMBL4443156)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C30H46N4O4/c1-21(2)29-30(38)31-17-13-9-7-5-3-4-6-8-10-16-27(36)33-25(26(35)19-28(37)34-29)18-22-20-32-24-15-12-11-14-23(22)24/h11-12,14-15,20-21,25-26,29,32,35H,3-10,13,16-19H2,1-2H3,(H,31,38)(H,33,36)(H,34,37)/t25-,26-,29-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506533
PNG
(CHEMBL4565858)
Show SMILES CC(C)C[C@@H]1NC(=O)CCCCCCCCCCCNC(=O)[C@H](C)NC(=O)C[C@@H]1O |r|
Show InChI InChI=1S/C23H43N3O4/c1-17(2)15-19-20(27)16-22(29)25-18(3)23(30)24-14-12-10-8-6-4-5-7-9-11-13-21(28)26-19/h17-20,27H,4-16H2,1-3H3,(H,24,30)(H,25,29)(H,26,28)/t18-,19-,20-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506509
PNG
(CHEMBL4522728)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](CS)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C22H41N3O4S/c1-16(2)21-22(29)23-13-11-9-7-5-3-4-6-8-10-12-19(27)24-17(15-30)18(26)14-20(28)25-21/h16-18,21,26,30H,3-15H2,1-2H3,(H,23,29)(H,24,27)(H,25,28)/t17-,18-,21-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506512
PNG
(CHEMBL4580856)
Show SMILES CC(C)C[C@H](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 |r|
Show InChI InChI=1S/C23H43N3O6/c1-12(2)9-16(17(27)11-19(29)30)24-22(31)21(15(7)8)26-23(32)20(14(5)6)25-18(28)10-13(3)4/h12-17,20-21,27H,9-11H2,1-8H3,(H,24,31)(H,25,28)(H,26,32)(H,29,30)/t16-,17-,20-,21-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506525
PNG
(CHEMBL4580187)
Show SMILES [H][C@]1(NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O)[C@@H](C)O |r|
Show InChI InChI=1S/C27H43N3O5/c1-20(31)26-27(35)28-17-13-8-6-4-2-3-5-7-12-16-24(33)29-22(23(32)19-25(34)30-26)18-21-14-10-9-11-15-21/h9-11,14-15,20,22-23,26,31-32H,2-8,12-13,16-19H2,1H3,(H,28,35)(H,29,33)(H,30,34)/t20-,22+,23+,26+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506510
PNG
(CHEMBL4591056)
Show SMILES [H][C@]1(NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O)[C@@H](C)OCc1ccccc1 |r|
Show InChI InChI=1S/C34H49N3O5/c1-26(42-25-28-19-13-10-14-20-28)33-34(41)35-22-16-8-6-4-2-3-5-7-15-21-31(39)36-29(30(38)24-32(40)37-33)23-27-17-11-9-12-18-27/h9-14,17-20,26,29-30,33,38H,2-8,15-16,21-25H2,1H3,(H,35,41)(H,36,39)(H,37,40)/t26-,29+,30+,33+/m1/s1
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n/an/a 560n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506528
PNG
(CHEMBL4451023)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2cscn2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C25H42N4O4S/c1-18(2)24-25(33)26-13-11-9-7-5-3-4-6-8-10-12-22(31)28-20(14-19-16-34-17-27-19)21(30)15-23(32)29-24/h16-18,20-21,24,30H,3-15H2,1-2H3,(H,26,33)(H,28,31)(H,29,32)/t20-,21-,24-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506527
PNG
(CHEMBL4555649)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCOCCOCCOCCNC1=O |r|
Show InChI InChI=1S/C25H39N3O7/c1-18(2)24-25(32)26-9-11-34-13-15-35-14-12-33-10-8-22(30)27-20(21(29)17-23(31)28-24)16-19-6-4-3-5-7-19/h3-7,18,20-21,24,29H,8-17H2,1-2H3,(H,26,32)(H,27,30)(H,28,31)/t20-,21-,24-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506531
PNG
(CHEMBL4457661)
Show SMILES CC(C)[C@@H]1NC(=O)CC[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O |r|
Show InChI InChI=1S/C28H45N3O3/c1-22(2)27-28(34)29-20-14-9-7-5-3-4-6-8-13-17-25(32)30-24(18-19-26(33)31-27)21-23-15-11-10-12-16-23/h10-12,15-16,22,24,27H,3-9,13-14,17-21H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)/t24-,27+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506507
PNG
(CHEMBL4457424)
Show SMILES CC(C)C[C@H](NC(=O)CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(O)=O |r|
Show InChI InChI=1S/C24H45N3O7/c1-13(2)8-17(26-21(30)10-15(5)6)19(28)11-22(31)25-16(7)24(34)27-18(9-14(3)4)20(29)12-23(32)33/h13-20,28-29H,8-12H2,1-7H3,(H,25,31)(H,26,30)(H,27,34)(H,32,33)/t16-,17-,18-,19-,20-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506536
PNG
(CHEMBL4562169)
Show SMILES CC(C)C[C@H](NC(=O)CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1S/C16H30N2O5/c1-9(2)6-12(18-14(20)7-10(3)4)13(19)8-15(21)17-11(5)16(22)23/h9-13,19H,6-8H2,1-5H3,(H,17,21)(H,18,20)(H,22,23)/t11-,12-,13-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair