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Patent code US9663475

Compile Data Set for Download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
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))		BDBM327788
PNG
(US9663475, Compound A7)
Show SMILES CCCc1ccc2CN(C3Cc4ccccc4C3)C(N)=Nc2c1
Show InChI InChI=1S/C20H23N3/c1-2-5-14-8-9-17-13-23(20(21)22-19(17)10-14)18-11-15-6-3-4-7-16(15)12-18/h3-4,6-10,18H,2,5,11-13H2,1H3,(H2,21,22)
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n/an/a 140n/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327800
PNG
(US9663475, Compound A16)
Show SMILES COc1ccc2CC(Cc2c1)N1Cc2ccc(cc2N=C1N)C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O/c1-26-16-5-3-11-6-15(7-13(11)8-16)25-10-12-2-4-14(19(20,21)22)9-17(12)24-18(25)23/h2-5,8-9,15H,6-7,10H2,1H3,(H2,23,24)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327812
PNG
(US9663475, Compound A22)
Show SMILES COc1ccc2CN(Cc2c1)C(=O)c1ccc2CN(C3Cc4ccccc4C3)C(N)=Nc2c1
Show InChI InChI=1S/C27H26N4O2/c1-33-24-9-8-20-14-30(15-22(20)12-24)26(32)19-6-7-21-16-31(27(28)29-25(21)13-19)23-10-17-4-2-3-5-18(17)11-23/h2-9,12-13,23H,10-11,14-16H2,1H3,(H2,28,29)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327811
PNG
(US9663475, Compound A21)
Show SMILES NC1=Nc2cc(ccc2CN1C1Cc2ccccc2C1)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C26H24N4O/c27-26-28-23-15-20(25(31)29-12-11-17-5-3-4-8-24(17)29)9-10-21(23)16-30(26)22-13-18-6-1-2-7-19(18)14-22/h1-10,15,22H,11-14,16H2,(H2,27,28)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327823
PNG
(US9663475, Compound A30)
Show SMILES NC1=Nc2cc(ccc2CN1C1Cc2ccccc2C1)C(=O)N1CCOc2ccccc12
Show InChI InChI=1S/C26H24N4O2/c27-26-28-22-15-19(25(31)29-11-12-32-24-8-4-3-7-23(24)29)9-10-20(22)16-30(26)21-13-17-5-1-2-6-18(17)14-21/h1-10,15,21H,11-14,16H2,(H2,27,28)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327803
PNG
(US9663475, Compound A18)
Show SMILES COc1ccc2C[C@@H](Cc2c1)N1Cc2ccc(cc2N=C1N)C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O/c1-26-16-5-3-11-6-15(7-13(11)8-16)25-10-12-2-4-14(19(20,21)22)9-17(12)24-18(25)23/h2-5,8-9,15H,6-7,10H2,1H3,(H2,23,24)/t15-/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327802
PNG
(US9663475, Compound A17)
Show SMILES CCc1ccc2CN(C3Cc4ccc(OC)cc4C3)C(N)=Nc2c1
Show InChI InChI=1S/C20H23N3O/c1-3-13-4-5-15-12-23(20(21)22-19(15)8-13)17-9-14-6-7-18(24-2)11-16(14)10-17/h4-8,11,17H,3,9-10,12H2,1-2H3,(H2,21,22)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327792
PNG
(US9663475, Compound A10)
Show SMILES NC1=Nc2cc(ccc2CN1C1Cc2ccccc2C1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3/c19-18(20,21)14-6-5-13-10-24(17(22)23-16(13)9-14)15-7-11-3-1-2-4-12(11)8-15/h1-6,9,15H,7-8,10H2,(H2,22,23)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327822
PNG
(US9663475, Compound A29)
Show SMILES NC1=Nc2cc(ccc2CN1C1Cc2ccccc2C1)C(=O)N1CCCC1Cc1ccccc1
Show InChI InChI=1S/C29H30N4O/c30-29-31-27-18-23(28(34)32-14-6-11-25(32)15-20-7-2-1-3-8-20)12-13-24(27)19-33(29)26-16-21-9-4-5-10-22(21)17-26/h1-5,7-10,12-13,18,25-26H,6,11,14-17,19H2,(H2,30,31)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327807
PNG
(US9663475, Compound A19)
Show SMILES COc1ccc2C[C@H](Cc2c1)N1Cc2ccc(cc2N=C1N)C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O/c1-26-16-5-3-11-6-15(7-13(11)8-16)25-10-12-2-4-14(19(20,21)22)9-17(12)24-18(25)23/h2-5,8-9,15H,6-7,10H2,1H3,(H2,23,24)/t15-/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327789
PNG
(US9663475, Compound A8 | US9663475, Compound A9)
Show SMILES COc1cc2CC(Cc2cc1OC)N1Cc2ccc(Cl)cc2N=C1N
Show InChI InChI=1S/C19H20ClN3O2/c1-24-17-7-12-5-15(6-13(12)8-18(17)25-2)23-10-11-3-4-14(20)9-16(11)22-19(23)21/h3-4,7-9,15H,5-6,10H2,1-2H3,(H2,21,22)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327798
PNG
(US9663475, Compound A14)
Show SMILES COc1ccc2CC(Cc2c1)N1Cc2ccc(Cl)cc2N=C1N
Show InChI InChI=1S/C18H18ClN3O/c1-23-16-5-3-11-6-15(7-13(11)8-16)22-10-12-2-4-14(19)9-17(12)21-18(22)20/h2-5,8-9,15H,6-7,10H2,1H3,(H2,20,21)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327793
PNG
(US9663475, Compound A11)
Show SMILES COc1ccc2CC(Cc2c1OC)N1Cc2ccc(Cl)cc2N=C1N
Show InChI InChI=1S/C19H20ClN3O2/c1-24-17-6-4-11-7-14(9-15(11)18(17)25-2)23-10-12-3-5-13(20)8-16(12)22-19(23)21/h3-6,8,14H,7,9-10H2,1-2H3,(H2,21,22)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327794
PNG
(US9663475, Compound A12)
Show SMILES COc1cccc2CC(Cc12)N1Cc2ccc(Cl)cc2N=C1N
Show InChI InChI=1S/C18H18ClN3O/c1-23-17-4-2-3-11-7-14(9-15(11)17)22-10-12-5-6-13(19)8-16(12)21-18(22)20/h2-6,8,14H,7,9-10H2,1H3,(H2,20,21)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327784
PNG
(US9663475, Compound A3)
Show SMILES NC1=Nc2cc(Cl)ccc2CN1C1Cc2ccccc2C1
Show InChI InChI=1S/C17H16ClN3/c18-14-6-5-13-10-21(17(19)20-16(13)9-14)15-7-11-3-1-2-4-12(11)8-15/h1-6,9,15H,7-8,10H2,(H2,19,20)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327789
PNG
(US9663475, Compound A8 | US9663475, Compound A9)
Show SMILES COc1cc2CC(Cc2cc1OC)N1Cc2ccc(Cl)cc2N=C1N
Show InChI InChI=1S/C19H20ClN3O2/c1-24-17-7-12-5-15(6-13(12)8-18(17)25-2)23-10-11-3-4-14(20)9-16(11)22-19(23)21/h3-4,7-9,15H,5-6,10H2,1-2H3,(H2,21,22)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327799
PNG
(US9663475, Compound A15)
Show SMILES NC1=Nc2cc(ccc2CN1C1c2ccccc2-c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C22H16F3N3/c23-22(24,25)14-10-9-13-12-28(21(26)27-19(13)11-14)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-11,20H,12H2,(H2,26,27)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327787
PNG
(US9663475, Compound A6)
Show SMILES NC1=Nc2cc(Cl)ccc2CN1C1CCCc2ccccc12
Show InChI InChI=1S/C18H18ClN3/c19-14-9-8-13-11-22(18(20)21-16(13)10-14)17-7-3-5-12-4-1-2-6-15(12)17/h1-2,4,6,8-10,17H,3,5,7,11H2,(H2,20,21)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327786
PNG
(US9663475, Compound A5)
Show SMILES NC1=Nc2cc(ccc2CN1C1Cc2ccccc2C1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-23-25-22-14-19(16-6-2-1-3-7-16)10-11-20(22)15-26(23)21-12-17-8-4-5-9-18(17)13-21/h1-11,14,21H,12-13,15H2,(H2,24,25)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327779
PNG
(US9663475, Compound A1 | US9663475, Compound A2)
Show SMILES NC1=Nc2ccccc2CN1C1Cc2ccccc2C1
Show InChI InChI=1S/C17H17N3/c18-17-19-16-8-4-3-7-14(16)11-20(17)15-9-12-5-1-2-6-13(12)10-15/h1-8,15H,9-11H2,(H2,18,19)
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n/an/a 2.30E+3n/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327825
PNG
(US9663475, Compound A31)
Show SMILES CO[C@H]1[C@H](Cc2ccccc12)N1Cc2ccc(cc2NC1=N)C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O/c1-26-17-14-5-3-2-4-11(14)8-16(17)25-10-12-6-7-13(19(20,21)22)9-15(12)24-18(25)23/h2-7,9,16-17H,8,10H2,1H3,(H2,23,24)/t16-,17+/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327816
PNG
(US9663475, Compound A25)
Show SMILES NC1=Nc2cc(ccc2CN1C1Cc2ccccc2C1)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H24N4O2/c23-22-24-20-13-17(21(27)25-7-9-28-10-8-25)5-6-18(20)14-26(22)19-11-15-3-1-2-4-16(15)12-19/h1-6,13,19H,7-12,14H2,(H2,23,24)
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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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327796
PNG
(US9663475, Compound A13)
Show SMILES NC1=Nc2cc(ccc2CN1C1CCc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3/c19-18(20,21)13-7-5-12-10-24(17(22)23-15(12)9-13)16-8-6-11-3-1-2-4-14(11)16/h1-5,7,9,16H,6,8,10H2,(H2,22,23)
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UniChem
US Patent
n/an/a 2.50E+3n/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327779
PNG
(US9663475, Compound A1 | US9663475, Compound A2)
Show SMILES NC1=Nc2ccccc2CN1C1Cc2ccccc2C1
Show InChI InChI=1S/C17H17N3/c18-17-19-16-8-4-3-7-14(16)11-20(17)15-9-12-5-1-2-6-13(12)10-15/h1-8,15H,9-11H2,(H2,18,19)
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US Patent
n/an/a 2.70E+3n/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327813
PNG
(US9663475, Compound A23 | US9663475, Compound A24)
Show SMILES CCN(CC)C(=O)c1ccc2CN(C3Cc4ccccc4C3)C(N)=Nc2c1
Show InChI InChI=1S/C22H26N4O/c1-3-25(4-2)21(27)17-9-10-18-14-26(22(23)24-20(18)13-17)19-11-15-7-5-6-8-16(15)12-19/h5-10,13,19H,3-4,11-12,14H2,1-2H3,(H2,23,24)
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n/an/a 2.90E+3n/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327817
PNG
(US9663475, Compound A26)
Show SMILES NC1=Nc2cc(ccc2CN1C1Cc2ccccc2C1)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H26N4O/c24-23-25-21-14-18(22(28)26-10-4-1-5-11-26)8-9-19(21)15-27(23)20-12-16-6-2-3-7-17(16)13-20/h2-3,6-9,14,20H,1,4-5,10-13,15H2,(H2,24,25)
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n/an/a 3.00E+3n/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327819
PNG
(US9663475, Compound A27)
Show SMILES Nc1nc2cc(ccc2c(=O)n1C1Cc2ccccc2C1)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)12-5-6-14-15(9-12)23-17(22)24(16(14)25)13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,22,23)
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n/an/a 3.30E+3n/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327809
PNG
(US9663475, Compound A20)
Show SMILES NC1=Nc2cc(ccc2CN1C1CCc2ccccc2C1)C(F)(F)F
Show InChI InChI=1S/C19H18F3N3/c20-19(21,22)15-7-5-14-11-25(18(23)24-17(14)10-15)16-8-6-12-3-1-2-4-13(12)9-16/h1-5,7,10,16H,6,8-9,11H2,(H2,23,24)
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n/an/a 3.80E+3n/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327813
PNG
(US9663475, Compound A23 | US9663475, Compound A24)
Show SMILES CCN(CC)C(=O)c1ccc2CN(C3Cc4ccccc4C3)C(N)=Nc2c1
Show InChI InChI=1S/C22H26N4O/c1-3-25(4-2)21(27)17-9-10-18-14-26(22(23)24-20(18)13-17)19-11-15-7-5-6-8-16(15)12-19/h5-10,13,19H,3-4,11-12,14H2,1-2H3,(H2,23,24)
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US Patent
n/an/a 4.20E+3n/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327785
PNG
(US9663475, Compound A4)
Show SMILES NC1=Nc2cccc(Cl)c2CN1C1Cc2ccccc2C1
Show InChI InChI=1S/C17H16ClN3/c18-15-6-3-7-16-14(15)10-21(17(19)20-16)13-8-11-4-1-2-5-12(11)9-13/h1-7,13H,8-10H2,(H2,19,20)
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n/an/a 8.40E+3n/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 US9663475 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))		BDBM327821
PNG
(US9663475, Compound A28)
Show SMILES NNc1nc2cc(ccc2c(=O)n1C1Cc2ccccc2C1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N4O/c19-18(20,21)12-5-6-14-15(9-12)23-17(24-22)25(16(14)26)13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8,22H2,(H,23,24)
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n/an/a 2.40E+4n/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 US9663475 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%