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Compile Data Set for Download or QSAR

Found 35 hits of non-affinity data for polymerid = 1673   
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))
BDBM23702
PNG
(3-[(2,4-dimethylphenyl)carbonyl]-1-[(4-fluoropheny...)
Show SMILES Cc1ccc(C(=O)c2ccn(n2)C(=O)c2ccc(F)cc2)c(C)c1
Show InChI InChI=1S/C19H15FN2O2/c1-12-3-8-16(13(2)11-12)18(23)17-9-10-22(21-17)19(24)14-4-6-15(20)7-5-14/h3-11H,1-2H3
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


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



Novartis



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


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


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


(Homo sapiens (Human))
BDBM23700
PNG
(N-Benzoylpyrazole deriv., 2 | methyl 1-[(4-chlorop...)
Show SMILES COC(=O)c1ccnn1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H9ClN2O3/c1-18-12(17)10-6-7-14-15(10)11(16)8-2-4-9(13)5-3-8/h2-7H,1H3
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Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23703
PNG
(1-benzoyl-4-nitro-1H-pyrazole | N-Benzoylpyrazole ...)
Show SMILES [O-][N+](=O)c1cnn(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-9(6-11-12)13(15)16/h1-7H
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23704
PNG
(1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide | N-B...)
Show SMILES O=C(Nc1ccccc1)c1ccn(n1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H13N3O2/c21-16(18-14-9-5-2-6-10-14)15-11-12-20(19-15)17(22)13-7-3-1-4-8-13/h1-12H,(H,18,21)
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23705
PNG
(4-bromo-1-[(4-methylphenyl)carbonyl]-1H-pyrazole |...)
Show SMILES Cc1ccc(cc1)C(=O)n1cc(Br)cn1
Show InChI InChI=1S/C11H9BrN2O/c1-8-2-4-9(5-3-8)11(15)14-7-10(12)6-13-14/h2-7H,1H3
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23706
PNG
(1-[(3,4-dichlorophenyl)carbonyl]-1H-pyrazole | N-B...)
Show SMILES Clc1ccc(cc1Cl)C(=O)n1cccn1
Show InChI InChI=1S/C10H6Cl2N2O/c11-8-3-2-7(6-9(8)12)10(15)14-5-1-4-13-14/h1-6H
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23707
PNG
(1-[(2-fluorophenyl)carbonyl]-5-methyl-3-nitro-1H-p...)
Show SMILES Cc1cc(nn1C(=O)c1ccccc1F)[N+]([O-])=O
Show InChI InChI=1S/C11H8FN3O3/c1-7-6-10(15(17)18)13-14(7)11(16)8-4-2-3-5-9(8)12/h2-6H,1H3
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23701
PNG
(4-chloro-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole |...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C10H6ClN3O3/c11-8-5-12-13(6-8)10(15)7-2-1-3-9(4-7)14(16)17/h1-6H
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23708
PNG
(4-bromo-1-[(2,6-difluorophenyl)carbonyl]-1H-pyrazo...)
Show SMILES Fc1cccc(F)c1C(=O)n1cc(Br)cn1
Show InChI InChI=1S/C10H5BrF2N2O/c11-6-4-14-15(5-6)10(16)9-7(12)2-1-3-8(9)13/h1-5H
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23709
PNG
(3-methyl-1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-p...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1
Show InChI InChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23710
PNG
(1-[(4-methylphenyl)carbonyl]-3-nitro-1H-pyrazole |...)
Show SMILES Cc1ccc(cc1)C(=O)n1ccc(n1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3/c1-8-2-4-9(5-3-8)11(15)13-7-6-10(12-13)14(16)17/h2-7H,1H3
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23711
PNG
(1-benzoyl-3-nitro-1H-pyrazole | N-Benzoylpyrazole ...)
Show SMILES [O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1
Show InChI InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23712
PNG
(1-[(2-methylphenyl)carbonyl]-4-nitro-1H-pyrazole |...)
Show SMILES Cc1ccccc1C(=O)n1cc(cn1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3/c1-8-4-2-3-5-10(8)11(15)13-7-9(6-12-13)14(16)17/h2-7H,1H3
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23725
PNG
(3,4,5-trimethyl-1-[(3,4,5-trimethoxyphenyl)carbony...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1nc(C)c(C)c1C
Show InChI InChI=1S/C16H20N2O4/c1-9-10(2)17-18(11(9)3)16(19)12-7-13(20-4)15(22-6)14(8-12)21-5/h7-8H,1-6H3
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23713
PNG
(4-chloro-1-[(2-methylphenyl)carbonyl]-1H-pyrazole ...)
Show SMILES Cc1ccccc1C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C11H9ClN2O/c1-8-4-2-3-5-10(8)11(15)14-7-9(12)6-13-14/h2-7H,1H3
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23714
PNG
(4-bromo-1-[(3-methylphenyl)carbonyl]-1H-pyrazole |...)
Show SMILES Cc1cccc(c1)C(=O)n1cc(Br)cn1
Show InChI InChI=1S/C11H9BrN2O/c1-8-3-2-4-9(5-8)11(15)14-7-10(12)6-13-14/h2-7H,1H3
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23715
PNG
(4-bromo-1-[(2-methylphenyl)carbonyl]-1H-pyrazole |...)
Show SMILES Cc1ccccc1C(=O)n1cc(Br)cn1
Show InChI InChI=1S/C11H9BrN2O/c1-8-4-2-3-5-10(8)11(15)14-7-9(12)6-13-14/h2-7H,1H3
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Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23716
PNG
(N-Benzoylpyrazole deriv., 24 | N-{4-[(3-methyl-1H-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)n1ccc(C)n1
Show InChI InChI=1S/C13H13N3O2/c1-9-7-8-16(15-9)13(18)11-3-5-12(6-4-11)14-10(2)17/h3-8H,1-2H3,(H,14,17)
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23717
PNG
(4-chloro-1-[(2-chlorophenyl)carbonyl]-1H-pyrazole ...)
Show SMILES Clc1cnn(c1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C10H6Cl2N2O/c11-7-5-13-14(6-7)10(15)8-3-1-2-4-9(8)12/h1-6H
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Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23718
PNG
(1-[(2-methylphenyl)carbonyl]-1H-pyrazole | N-Benzo...)
Show SMILES Cc1ccccc1C(=O)n1cccn1
Show InChI InChI=1S/C11H10N2O/c1-9-5-2-3-6-10(9)11(14)13-8-4-7-12-13/h2-8H,1H3
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Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23719
PNG
(4-bromo-1-[(2-chloro-4,5-difluorophenyl)carbonyl]-...)
Show SMILES Fc1cc(Cl)c(cc1F)C(=O)n1cc(Br)cn1
Show InChI InChI=1S/C10H4BrClF2N2O/c11-5-3-15-16(4-5)10(17)6-1-8(13)9(14)2-7(6)12/h1-4H
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Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23720
PNG
(1-[(4-tert-butylphenyl)carbonyl]-4-chloro-1H-pyraz...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C14H15ClN2O/c1-14(2,3)11-6-4-10(5-7-11)13(18)17-9-12(15)8-16-17/h4-9H,1-3H3
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Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23721
PNG
(4-chloro-1-[(2-fluorophenyl)carbonyl]-3,5-dimethyl...)
Show SMILES Cc1nn(C(=O)c2ccccc2F)c(C)c1Cl
Show InChI InChI=1S/C12H10ClFN2O/c1-7-11(13)8(2)16(15-7)12(17)9-5-3-4-6-10(9)14/h3-6H,1-2H3
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Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23722
PNG
(4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...)
Show SMILES Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Cl
Show InChI InChI=1S/C12H10Cl2N2O/c1-7-11(14)8(2)16(15-7)12(17)9-3-5-10(13)6-4-9/h3-6H,1-2H3
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23723
PNG
(4-bromo-1-[(4-methoxyphenyl)carbonyl]-3,5-dimethyl...)
Show SMILES COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C
Show InChI InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)13(17)10-4-6-11(18-3)7-5-10/h4-7H,1-3H3
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Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM23724
PNG
(1-[(2-bromophenyl)carbonyl]-1H-pyrazole | N-Benzoy...)
Show SMILES Brc1ccccc1C(=O)n1cccn1
Show InChI InChI=1S/C10H7BrN2O/c11-9-5-2-1-4-8(9)10(14)13-7-3-6-12-13/h1-7H
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Cathepsin D


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



Novartis



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


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


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


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



Novartis



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


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


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


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



Novartis



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


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


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


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



Novartis



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


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


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


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



Novartis



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


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


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


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



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


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


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


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



Novartis



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


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


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


(Homo sapiens (Human))
BDBM23698
PNG
(4-chloro-1-[(4-fluorophenyl)carbonyl]-1H-pyrazole ...)
Show SMILES Fc1ccc(cc1)C(=O)n1cc(Cl)cn1
Show InChI InChI=1S/C10H6ClFN2O/c11-8-5-13-14(6-8)10(15)7-1-3-9(12)4-2-7/h1-6H
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n/an/an/an/an/an/an/an/an/a



Montana State University



Assay Description
Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair