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Compile Data Set for Download or QSAR

Found 446 hits of Enz. Inhib. data with enzyme = 'Cathepsin D' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin D


(Homo sapiens (human))
BDBM50055925
PNG
(CHEMBL3321939 | US9884814, Compound 99)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cc(OC)c(OC)cc2Br)ccc1F
Show InChI InChI=1S/C28H36BrFN4O5/c1-37-23-12-18(9-10-21(23)30)16-32-27(36)22(11-17-7-5-4-6-8-17)33-28(31)34-26(35)14-19-13-24(38-2)25(39-3)15-20(19)29/h9-10,12-13,15,17,22H,4-8,11,14,16H2,1-3H3,(H,32,36)(H3,31,33,34,35)/t22-/m1/s1
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n/an/a 8.60n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275594
PNG
(US9884814, Compound 196)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC(C)C)C(=O)N[C@H]2CCc3ccccc23)cc1OC
Show InChI InChI=1S/C26H34N4O4/c1-16(2)13-21(25(32)28-20-11-10-18-7-5-6-8-19(18)20)29-26(27)30-24(31)15-17-9-12-22(33-3)23(14-17)34-4/h5-9,12,14,16,20-21H,10-11,13,15H2,1-4H3,(H,28,32)(H3,27,29,30,31)/t20-,21+/m0/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275605
PNG
(US9884814, Compound 208)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)N[C@H]2CCc3ccccc23)cc1OC
Show InChI InChI=1S/C29H38N4O4/c1-36-25-15-12-20(17-26(25)37-2)18-27(34)33-29(30)32-24(16-19-8-4-3-5-9-19)28(35)31-23-14-13-21-10-6-7-11-22(21)23/h6-7,10-12,15,17,19,23-24H,3-5,8-9,13-14,16,18H2,1-2H3,(H,31,35)(H3,30,32,33,34)/t23-,24+/m0/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275727
PNG
(US9884814, Compound 341)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)N[C@@H](C)c2ccc(F)c(c2)-c2nnn[nH]2)cc1OC
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275668
PNG
(US9884814, Compound 281)
Show SMILES COc1ccc(CC(=O)NC(=N)NC(CC2CCCCC2)C(=O)NCc2cccc(c2)S(N)(=O)=O)cc1OC
Show InChI InChI=1S/C27H37N5O6S/c1-37-23-12-11-19(15-24(23)38-2)16-25(33)32-27(28)31-22(14-18-7-4-3-5-8-18)26(34)30-17-20-9-6-10-21(13-20)39(29,35)36/h6,9-13,15,18,22H,3-5,7-8,14,16-17H2,1-2H3,(H,30,34)(H2,29,35,36)(H3,28,31,32,33)
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275512
PNG
(US9884814, Compound 69)
Show SMILES COc1cc(ccc1F)C1(CC1)NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C30H39FN4O5/c1-38-24-12-9-20(16-26(24)40-3)17-27(36)34-29(32)33-23(15-19-7-5-4-6-8-19)28(37)35-30(13-14-30)21-10-11-22(31)25(18-21)39-2/h9-12,16,18-19,23H,4-8,13-15,17H2,1-3H3,(H,35,37)(H3,32,33,34,36)/t23-/m1/s1
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n/an/a 15n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50055907
PNG
(CHEMBL3321928 | US9884814, Compound 60)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)ccc1F
Show InChI InChI=1S/C28H37FN4O5/c1-36-23-12-10-19(14-25(23)38-3)16-26(34)33-28(30)32-22(13-18-7-5-4-6-8-18)27(35)31-17-20-9-11-21(29)24(15-20)37-2/h9-12,14-15,18,22H,4-8,13,16-17H2,1-3H3,(H,31,35)(H3,30,32,33,34)/t22-/m1/s1
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n/an/a 17n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275675
PNG
(US9884814, Compound 288)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cccc(NS(C)(=O)=O)c2)ccc1F
Show InChI InChI=1S/C27H36FN5O5S/c1-38-24-15-20(11-12-22(24)28)17-30-26(35)23(14-18-7-4-3-5-8-18)31-27(29)32-25(34)16-19-9-6-10-21(13-19)33-39(2,36)37/h6,9-13,15,18,23,33H,3-5,7-8,14,16-17H2,1-2H3,(H,30,35)(H3,29,31,32,34)/t23-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50055892
PNG
(CHEMBL3321931 | US9884814, Compound 44)
Show SMILES COc1cc(CNC(=O)[C@@H](CC(C)C)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)ccc1F
Show InChI InChI=1S/C25H33FN4O5/c1-15(2)10-19(24(32)28-14-17-6-8-18(26)21(12-17)34-4)29-25(27)30-23(31)13-16-7-9-20(33-3)22(11-16)35-5/h6-9,11-12,15,19H,10,13-14H2,1-5H3,(H,28,32)(H3,27,29,30,31)/t19-/m1/s1
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n/an/a 24n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275681
PNG
(US9884814, Compound 294)
Show SMILES CCOC(=O)c1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(OC)c2)cc1OCC
Show InChI InChI=1S/C31H41FN4O6/c1-4-41-26-16-21(11-13-23(26)30(39)42-5-2)18-28(37)36-31(33)35-25(15-20-9-7-6-8-10-20)29(38)34-19-22-12-14-24(32)27(17-22)40-3/h11-14,16-17,20,25H,4-10,15,18-19H2,1-3H3,(H,34,38)(H3,33,35,36,37)/t25-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275491
PNG
(US9884814, Compound 46)
Show SMILES CC[C@@H](C)[C@@H](NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)NCc1ccc(F)c(OC)c1
Show InChI InChI=1S/C25H33FN4O5/c1-6-15(2)23(24(32)28-14-17-7-9-18(26)20(12-17)34-4)30-25(27)29-22(31)13-16-8-10-19(33-3)21(11-16)35-5/h7-12,15,23H,6,13-14H2,1-5H3,(H,28,32)(H3,27,29,30,31)/t15-,23-/m1/s1
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n/an/a 26n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275488
PNG
(US9884814, Compound 43)
Show SMILES CC[C@H](C)CNC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C25H40N4O4/c1-5-17(2)16-27-24(31)20(13-18-9-7-6-8-10-18)28-25(26)29-23(30)15-19-11-12-21(32-3)22(14-19)33-4/h11-12,14,17-18,20H,5-10,13,15-16H2,1-4H3,(H,27,31)(H3,26,28,29,30)/t17-,20+/m0/s1
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n/an/a 31n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275671
PNG
(US9884814, Compound 284)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(OC)c2)c(F)c1
Show InChI InChI=1S/C27H34F2N4O4/c1-36-20-10-9-19(22(29)15-20)14-25(34)33-27(30)32-23(12-17-6-4-3-5-7-17)26(35)31-16-18-8-11-21(28)24(13-18)37-2/h8-11,13,15,17,23H,3-7,12,14,16H2,1-2H3,(H,31,35)(H3,30,32,33,34)/t23-/m1/s1
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n/an/a 35n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275619
PNG
(US9884814, Compound 222)
Show SMILES COc1cc(F)c(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(OC)c2)c(F)c1
Show InChI InChI=1S/C27H33F3N4O4/c1-37-18-12-21(29)19(22(30)13-18)14-25(35)34-27(31)33-23(10-16-6-4-3-5-7-16)26(36)32-15-17-8-9-20(28)24(11-17)38-2/h8-9,11-13,16,23H,3-7,10,14-15H2,1-2H3,(H,32,36)(H3,31,33,34,35)/t23-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275705
PNG
(US9884814, Compound 319)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2cccc(c2)-c2ccn(C)n2)cc1OC
Show InChI InChI=1S/C31H40N6O4/c1-37-15-14-25(36-37)24-11-7-10-23(16-24)20-33-30(39)26(17-21-8-5-4-6-9-21)34-31(32)35-29(38)19-22-12-13-27(40-2)28(18-22)41-3/h7,10-16,18,21,26H,4-6,8-9,17,19-20H2,1-3H3,(H,33,39)(H3,32,34,35,38)/t26-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275719
PNG
(US9884814, Compound 333)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(cc2)-c2nn[nH]n2)ccc1F
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275625
PNG
(US9884814, Compound 230)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(OC)c2)c(Br)c1
Show InChI InChI=1S/C27H34BrFN4O4/c1-36-20-10-9-19(21(28)15-20)14-25(34)33-27(30)32-23(12-17-6-4-3-5-7-17)26(35)31-16-18-8-11-22(29)24(13-18)37-2/h8-11,13,15,17,23H,3-7,12,14,16H2,1-2H3,(H,31,35)(H3,30,32,33,34)/t23-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275624
PNG
(US9884814, Compound 229)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCC(C)C)c(Br)c1
Show InChI InChI=1S/C23H35BrN4O3/c1-15(2)14-26-22(30)20(11-16-7-5-4-6-8-16)27-23(25)28-21(29)12-17-9-10-18(31-3)13-19(17)24/h9-10,13,15-16,20H,4-8,11-12,14H2,1-3H3,(H,26,30)(H3,25,27,28,29)/t20-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50055931
PNG
(CHEMBL3321933 | US9884814, Compound 272)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(cc2)-c2nnn[nH]2)cc1OC
Show InChI InChI=1S/C28H36N8O4/c1-39-23-13-10-20(15-24(23)40-2)16-25(37)32-28(29)31-22(14-18-6-4-3-5-7-18)27(38)30-17-19-8-11-21(12-9-19)26-33-35-36-34-26/h8-13,15,18,22H,3-7,14,16-17H2,1-2H3,(H,30,38)(H3,29,31,32,37)(H,33,34,35,36)/t22-/m1/s1
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n/an/a 44n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275725
PNG
(US9884814, Compound 339)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)N[C@@H](C)c2cccc(c2)-c2nnn[nH]2)cc1OC
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275701
PNG
(US9884814, Compound 315)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(cc2)-c2csnn2)cc1OC
Show InChI InChI=1S/C29H36N6O4S/c1-38-25-13-10-21(15-26(25)39-2)16-27(36)33-29(30)32-23(14-19-6-4-3-5-7-19)28(37)31-17-20-8-11-22(12-9-20)24-18-40-35-34-24/h8-13,15,18-19,23H,3-7,14,16-17H2,1-2H3,(H,31,37)(H3,30,32,33,36)/t23-/m1/s1
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n/an/a 45n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275583
PNG
(US9884814, Compound 157)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C28H37FN4O5/c1-36-21-11-10-20(24(16-21)37-2)15-26(34)33-28(30)32-23(13-18-7-5-4-6-8-18)27(35)31-17-19-9-12-22(29)25(14-19)38-3/h9-12,14,16,18,23H,4-8,13,15,17H2,1-3H3,(H,31,35)(H3,30,32,33,34)/t23-/m1/s1
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n/an/a 46n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275696
PNG
(US9884814, Compound 310)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(cc2)-c2nnc(O)o2)cc1OC
Show InChI InChI=1S/C29H36N6O6/c1-39-23-13-10-20(15-24(23)40-2)16-25(36)33-28(30)32-22(14-18-6-4-3-5-7-18)26(37)31-17-19-8-11-21(12-9-19)27-34-35-29(38)41-27/h8-13,15,18,22H,3-7,14,16-17H2,1-2H3,(H,31,37)(H,35,38)(H3,30,32,33,36)/t22-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275713
PNG
(US9884814, Compound 327)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(C)c(C)c2)ccc1F
Show InChI InChI=1S/C28H37FN4O3/c1-18-9-10-21(13-19(18)2)16-26(34)33-28(30)32-24(14-20-7-5-4-6-8-20)27(35)31-17-22-11-12-23(29)25(15-22)36-3/h9-13,15,20,24H,4-8,14,16-17H2,1-3H3,(H,31,35)(H3,30,32,33,34)/t24-/m1/s1
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n/an/a 47n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275582
PNG
(US9884814, Compound 156)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCC(C)C)c(OC)c1
Show InChI InChI=1S/C24H38N4O4/c1-16(2)15-26-23(30)20(12-17-8-6-5-7-9-17)27-24(25)28-22(29)13-18-10-11-19(31-3)14-21(18)32-4/h10-11,14,16-17,20H,5-9,12-13,15H2,1-4H3,(H,26,30)(H3,25,27,28,29)/t20-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275685
PNG
(US9884814, Compound 298)
Show SMILES NS(=O)(=O)c1cccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H32ClN5O4S/c26-20-11-9-18(10-12-20)15-23(32)31-25(27)30-22(14-17-5-2-1-3-6-17)24(33)29-16-19-7-4-8-21(13-19)36(28,34)35/h4,7-13,17,22H,1-3,5-6,14-16H2,(H,29,33)(H2,28,34,35)(H3,27,30,31,32)/t22-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275726
PNG
(US9884814, Compound 340)
Show SMILES C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1ccc(C)c(C)c1)c1cccc(c1)-c1nnn[nH]1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275587
PNG
(US9884814, Compound 162)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1OC
Show InChI InChI=1S/C27H37N5O6S/c1-37-23-13-10-20(15-24(23)38-2)16-25(33)32-27(28)31-22(14-18-6-4-3-5-7-18)26(34)30-17-19-8-11-21(12-9-19)39(29,35)36/h8-13,15,18,22H,3-7,14,16-17H2,1-2H3,(H,30,34)(H2,29,35,36)(H3,28,31,32,33)/t22-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275708
PNG
(US9884814, Compound 322)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(Cl)cc2F)ccc1F
Show InChI InChI=1S/C26H31ClF2N4O3/c1-36-23-12-17(7-10-20(23)28)15-31-25(35)22(11-16-5-3-2-4-6-16)32-26(30)33-24(34)13-18-8-9-19(27)14-21(18)29/h7-10,12,14,16,22H,2-6,11,13,15H2,1H3,(H,31,35)(H3,30,32,33,34)/t22-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275471
PNG
(US9884814, Compound 22)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(F)c(OC)c2)cc1OC
Show InChI InChI=1S/C28H31FN4O5/c1-36-23-12-10-19(14-25(23)38-3)16-26(34)33-28(30)32-22(13-18-7-5-4-6-8-18)27(35)31-17-20-9-11-21(29)24(15-20)37-2/h4-12,14-15,22H,13,16-17H2,1-3H3,(H,31,35)(H3,30,32,33,34)/t22-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275664
PNG
(US9884814, Compound 275)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(Cl)cc2)ccc1F
Show InChI InChI=1S/C26H32ClFN4O3/c1-35-23-14-19(9-12-21(23)28)16-30-25(34)22(13-17-5-3-2-4-6-17)31-26(29)32-24(33)15-18-7-10-20(27)11-8-18/h7-12,14,17,22H,2-6,13,15-16H2,1H3,(H,30,34)(H3,29,31,32,33)/t22-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275688
PNG
(US9884814, Compound 301)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(cc2)-n2cnnn2)ccc1F
Show InChI InChI=1S/C27H33FN8O3/c1-39-24-14-20(9-12-22(24)28)16-30-26(38)23(13-18-5-3-2-4-6-18)32-27(29)33-25(37)15-19-7-10-21(11-8-19)36-17-31-34-35-36/h7-12,14,17-18,23H,2-6,13,15-16H2,1H3,(H,30,38)(H3,29,32,33,37)/t23-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275549
PNG
(US9884814, Compound 109)
Show SMILES COc1cc(Br)c(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCC(C)C)cc1OC
Show InChI InChI=1S/C24H37BrN4O4/c1-15(2)14-27-23(31)19(10-16-8-6-5-7-9-16)28-24(26)29-22(30)12-17-11-20(32-3)21(33-4)13-18(17)25/h11,13,15-16,19H,5-10,12,14H2,1-4H3,(H,27,31)(H3,26,28,29,30)/t19-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275674
PNG
(US9884814, Compound 287)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cccc(c2)C#N)ccc1F
Show InChI InChI=1S/C27H32FN5O3/c1-36-24-14-21(10-11-22(24)28)17-31-26(35)23(13-18-6-3-2-4-7-18)32-27(30)33-25(34)15-19-8-5-9-20(12-19)16-29/h5,8-12,14,18,23H,2-4,6-7,13,15,17H2,1H3,(H,31,35)(H3,30,32,33,34)/t23-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275533
PNG
(US9884814, Compound 93)
Show SMILES COc1ccc(CCC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(OC)c2)cc1OC
Show InChI InChI=1S/C29H39FN4O5/c1-37-24-13-10-20(16-26(24)39-3)11-14-27(35)34-29(31)33-23(15-19-7-5-4-6-8-19)28(36)32-18-21-9-12-22(30)25(17-21)38-2/h9-10,12-13,16-17,19,23H,4-8,11,14-15,18H2,1-3H3,(H,32,36)(H3,31,33,34,35)/t23-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275650
PNG
(US9884814, Compound 261)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2c(F)cc(F)cc2F)ccc1F
Show InChI InChI=1S/C26H30F4N4O3/c1-37-23-10-16(7-8-19(23)28)14-32-25(36)22(9-15-5-3-2-4-6-15)33-26(31)34-24(35)13-18-20(29)11-17(27)12-21(18)30/h7-8,10-12,15,22H,2-6,9,13-14H2,1H3,(H,32,36)(H3,31,33,34,35)/t22-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50055908
PNG
(CHEMBL3321925 | US9884814, Compound 141)
Show SMILES COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C29H34N4O6/c1-36-23-12-10-20(15-25(23)38-3)17-27(34)33-29(30)32-22(14-19-8-6-5-7-9-19)28(35)31-18-21-11-13-24(37-2)26(16-21)39-4/h5-13,15-16,22H,14,17-18H2,1-4H3,(H,31,35)(H3,30,32,33,34)/t22-/m1/s1
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n/an/a 58n/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 US9884814 (2018)

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


(Homo sapiens (human))
BDBM275543
PNG
(US9884814, Compound 103)
Show SMILES CC(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C23H34N4O4/c1-15(2)13-25-22(29)18(10-16-6-4-3-5-7-16)26-23(24)27-21(28)12-17-8-9-19-20(11-17)31-14-30-19/h8-9,11,15-16,18H,3-7,10,12-14H2,1-2H3,(H,25,29)(H3,24,26,27,28)/t18-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275673
PNG
(US9884814, Compound 286)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(cc2)-c2noc(C)n2)ccc1F
Show InChI InChI=1S/C29H35FN6O4/c1-18-33-27(36-40-18)22-11-8-20(9-12-22)16-26(37)35-29(31)34-24(14-19-6-4-3-5-7-19)28(38)32-17-21-10-13-23(30)25(15-21)39-2/h8-13,15,19,24H,3-7,14,16-17H2,1-2H3,(H,32,38)(H3,31,34,35,37)/t24-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275612
PNG
(US9884814, Compound 215)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(F)c(OC)c2)ccc1F
Show InChI InChI=1S/C27H34F2N4O4/c1-36-23-13-18(8-10-20(23)28)15-25(34)33-27(30)32-22(12-17-6-4-3-5-7-17)26(35)31-16-19-9-11-21(29)24(14-19)37-2/h8-11,13-14,17,22H,3-7,12,15-16H2,1-2H3,(H,31,35)(H3,30,32,33,34)/t22-/m1/s1
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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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275635
PNG
(US9884814, Compound 243)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2OC)ccc1F
Show InChI InChI=1S/C29H39FN4O6/c1-37-23-13-11-20(26(39-3)27(23)40-4)16-25(35)34-29(31)33-22(14-18-8-6-5-7-9-18)28(36)32-17-19-10-12-21(30)24(15-19)38-2/h10-13,15,18,22H,5-9,14,16-17H2,1-4H3,(H,32,36)(H3,31,33,34,35)/t22-/m1/s1
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n/an/a 66n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50055934
PNG
(CHEMBL3321927 | US9884814, Compound 51)
Show SMILES COc1ccc(CNC(=O)[C@@H](CC(C)C)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C26H36N4O6/c1-16(2)11-19(25(32)28-15-18-8-10-21(34-4)23(13-18)36-6)29-26(27)30-24(31)14-17-7-9-20(33-3)22(12-17)35-5/h7-10,12-13,16,19H,11,14-15H2,1-6H3,(H,28,32)(H3,27,29,30,31)/t19-/m1/s1
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n/an/a 67n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275709
PNG
(US9884814, Compound 323)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2cccc(c2)-c2nccs2)cc1OC
Show InChI InChI=1S/C30H37N5O4S/c1-38-25-12-11-21(17-26(25)39-2)18-27(36)35-30(31)34-24(16-20-7-4-3-5-8-20)28(37)33-19-22-9-6-10-23(15-22)29-32-13-14-40-29/h6,9-15,17,20,24H,3-5,7-8,16,18-19H2,1-2H3,(H,33,37)(H3,31,34,35,36)/t24-/m1/s1
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n/an/a 67n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275599
PNG
(US9884814, Compound 201)
Show SMILES CCOc1cc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(OC)c2)ccc1OC
Show InChI InChI=1S/C29H39FN4O5/c1-4-39-26-15-20(11-13-24(26)37-2)17-27(35)34-29(31)33-23(14-19-8-6-5-7-9-19)28(36)32-18-21-10-12-22(30)25(16-21)38-3/h10-13,15-16,19,23H,4-9,14,17-18H2,1-3H3,(H,32,36)(H3,31,33,34,35)/t23-/m1/s1
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n/an/a 72n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275497
PNG
(US9884814, Compound 53)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCC(C)C)cc1OC
Show InChI InChI=1S/C24H38N4O4/c1-16(2)15-26-23(30)19(12-17-8-6-5-7-9-17)27-24(25)28-22(29)14-18-10-11-20(31-3)21(13-18)32-4/h10-11,13,16-17,19H,5-9,12,14-15H2,1-4H3,(H,26,30)(H3,25,27,28,29)/t19-/m1/s1
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n/an/a 72n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275504
PNG
(US9884814, Compound 61)
Show SMILES COc1cc(CNC(=O)[C@@H](CCc2ccccc2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)ccc1F
Show InChI InChI=1S/C29H33FN4O5/c1-37-24-14-11-20(15-26(24)39-3)17-27(35)34-29(31)33-23(13-10-19-7-5-4-6-8-19)28(36)32-18-21-9-12-22(30)25(16-21)38-2/h4-9,11-12,14-16,23H,10,13,17-18H2,1-3H3,(H,32,36)(H3,31,33,34,35)/t23-/m1/s1
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n/an/a 74n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275667
PNG
(US9884814, Compound 278)
Show SMILES COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(cc2Br)C(F)(F)F)ccc1F
Show InChI InChI=1S/C27H31BrF4N4O3/c1-39-23-12-17(7-10-21(23)29)15-34-25(38)22(11-16-5-3-2-4-6-16)35-26(33)36-24(37)13-18-8-9-19(14-20(18)28)27(30,31)32/h7-10,12,14,16,22H,2-6,11,13,15H2,1H3,(H,34,38)(H3,33,35,36,37)/t22-/m1/s1
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n/an/a 74n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275498
PNG
(US9884814, Compound 54)
Show SMILES COc1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C28H32N4O5/c1-35-22-11-7-10-21(14-22)18-30-27(34)23(15-19-8-5-4-6-9-19)31-28(29)32-26(33)17-20-12-13-24(36-2)25(16-20)37-3/h4-14,16,23H,15,17-18H2,1-3H3,(H,30,34)(H3,29,31,32,33)/t23-/m1/s1
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n/an/a 78n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM275672
PNG
(US9884814, Compound 285)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCC(C)C)c(F)c1
Show InChI InChI=1S/C23H35FN4O3/c1-15(2)14-26-22(30)20(11-16-7-5-4-6-8-16)27-23(25)28-21(29)12-17-9-10-18(31-3)13-19(17)24/h9-10,13,15-16,20H,4-8,11-12,14H2,1-3H3,(H,26,30)(H3,25,27,28,29)/t20-/m1/s1
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n/an/a 80n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50055930
PNG
(CHEMBL3321934 | US9884814, Compound 276)
Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(-c3nnn[nH]3)c(F)c2)cc1OC
Show InChI InChI=1S/C28H35FN8O4/c1-40-23-11-9-18(14-24(23)41-2)15-25(38)33-28(30)32-22(13-17-6-4-3-5-7-17)27(39)31-16-19-8-10-20(21(29)12-19)26-34-36-37-35-26/h8-12,14,17,22H,3-7,13,15-16H2,1-2H3,(H,31,39)(H3,30,32,33,38)(H,34,35,36,37)/t22-/m1/s1
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n/an/a 81n/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 US9884814 (2018)

More data for this
Ligand-Target Pair
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