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Compile Data Set for Download or QSAR

Found 252 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))
BDBM372932
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(2-phen...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1c1ccccc1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C31H27F2N5OS/c1-30(22-14-19(9-11-23(22)32)15-24(33)25-12-10-20(17-34)18-36-25)27-16-31(27,40-29(35)37-30)28(39)38-13-5-8-26(38)21-6-3-2-4-7-21/h2-4,6-7,9-12,14-15,18,26-27H,5,8,13,16H2,1H3,(H2,35,37)/b24-15-/t26?,27-,30+,31-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372732
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(1,3,3-...)
Show SMILES CC12CC(CC(C)(C)C1)N(C2)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C31H33F2N5OS/c1-28(2)11-20-12-29(3,16-28)17-38(20)26(39)31-13-25(31)30(4,37-27(35)40-31)21-9-18(5-7-22(21)32)10-23(33)24-8-6-19(14-34)15-36-24/h5-10,15,20,25H,11-13,16-17H2,1-4H3,(H2,35,37)/b23-10-/t20?,25-,29?,30+,31-/m0/s1
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n/an/a 4.18E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372731
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((4aS,8aR)-decah...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C30H31F2N5OS/c1-29(22-12-18(6-8-23(22)31)13-24(32)25-9-7-19(15-33)16-35-25)26-14-30(26,39-28(34)36-29)27(38)37-11-10-20-4-2-3-5-21(20)17-37/h6-9,12-13,16,20-21,26H,2-5,10-11,14,17H2,1H3,(H2,34,36)/b24-13-/t20-,21-,26-,29+,30-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372936
PNG
((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-y...)
Show SMILES COC(CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F)OC
Show InChI InChI=1S/C25H25F2N5O3S/c1-24(20-10-25(20,36-23(29)32-24)22(33)31-13-21(34-2)35-3)16-8-14(4-6-17(16)26)9-18(27)19-7-5-15(11-28)12-30-19/h4-9,12,20-21H,10,13H2,1-3H3,(H2,29,32)(H,31,33)/b18-9-/t20-,24+,25-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372896
PNG
((1S,5S,6S)-3-amino-N-(2,2-difluoroethyl)-5-(2-fluo...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NCC(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C24H21F4N5O2S/c1-3-6-35-20-12-30-17(10-31-20)16(26)8-13-4-5-15(25)14(7-13)23(2)18-9-24(18,36-22(29)33-23)21(34)32-11-19(27)28/h1,4-5,7-8,10,12,18-19H,6,9,11H2,2H3,(H2,29,33)(H,32,34)/b16-8-/t18-,23+,24-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372926
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(8-oxa-...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC11CCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C28H27F2N5O2S/c1-26(19-11-17(3-5-20(19)29)12-21(30)22-6-4-18(14-31)15-33-22)23-13-28(23,38-25(32)34-26)24(36)35-9-10-37-16-27(35)7-2-8-27/h3-6,11-12,15,23H,2,7-10,13,16H2,1H3,(H2,32,34)/b21-12-/t23-,26+,28-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372792
PNG
((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoroviny...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C/F)ccc1F
Show InChI InChI=1S/C17H19F2N3OS/c1-16(11-8-10(6-7-18)4-5-12(11)19)13-9-17(13,14(23)22(2)3)24-15(20)21-16/h4-8,13H,9H2,1-3H3,(H2,20,21)/b7-6-/t13-,16+,17-/m0/s1
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n/an/a 9.28E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372901
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((2R,3R)-3-fluor...)
Show SMILES C[C@@H]1[C@H](F)CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C26H24F3N5OS/c1-14-18(27)7-8-34(14)23(35)26-11-22(26)25(2,33-24(31)36-26)17-9-15(3-5-19(17)28)10-20(29)21-6-4-16(12-30)13-32-21/h3-6,9-10,13-14,18,22H,7-8,11H2,1-2H3,(H2,31,33)/b20-10-/t14-,18-,22+,25-,26+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372790
PNG
((1S,5S,6S)-3-amino-5-(2-fluoro-5-((E)-2-fluoro-2-i...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)I)ccc1F
Show InChI InChI=1S/C17H18F2IN3OS/c1-16(10-6-9(7-13(19)20)4-5-11(10)18)12-8-17(12,14(24)23(2)3)25-15(21)22-16/h4-7,12H,8H2,1-3H3,(H2,21,22)/b13-7+/t12-,16+,17-/m0/s1
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n/an/a 1.22E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372736
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(3-phen...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC(C1)c1ccccc1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C32H29F2N5OS/c1-31(24-14-20(9-11-25(24)33)15-26(34)27-12-10-21(17-35)18-37-27)28-16-32(28,41-30(36)38-31)29(40)39-13-5-8-23(19-39)22-6-3-2-4-7-22/h2-4,6-7,9-12,14-15,18,23,28H,5,8,13,16,19H2,1H3,(H2,36,38)/b26-15-/t23?,28-,31+,32-/m0/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372714
PNG
((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)Nc1ccccc1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C26H21ClF2N4OS/c1-25(18-11-15(7-9-19(18)28)12-20(29)21-10-8-16(27)14-31-21)22-13-26(22,35-24(30)33-25)23(34)32-17-5-3-2-4-6-17/h2-12,14,22H,13H2,1H3,(H2,30,33)(H,32,34)/b20-12-/t22-,25+,26-/m0/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372791
PNG
((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-4-p...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)C#Cc2ccccc2)ccc1F
Show InChI InChI=1S/C25H23F2N3OS/c1-24(21-15-25(21,22(31)30(2)3)32-23(28)29-24)19-14-17(10-12-20(19)27)13-18(26)11-9-16-7-5-4-6-8-16/h4-8,10,12-14,21H,15H2,1-3H3,(H2,28,29)/b18-13-/t21-,24+,25-/m0/s1
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n/an/a 1.46E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372900
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((2S,3S)-3-fluor...)
Show SMILES C[C@H]1[C@@H](F)CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C26H24F3N5OS/c1-14-18(27)7-8-34(14)23(35)26-11-22(26)25(2,33-24(31)36-26)17-9-15(3-5-19(17)28)10-20(29)21-6-4-16(12-30)13-32-21/h3-6,9-10,13-14,18,22H,7-8,11H2,1-2H3,(H2,31,33)/b20-10-/t14-,18-,22-,25+,26-/m0/s1
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n/an/a 1.63E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372785
PNG
(5-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(piperi...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCCC1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F
Show InChI InChI=1S/C25H24F2N6OS/c1-24(21-11-25(21,35-23(29)32-24)22(34)33-7-3-2-4-8-33)17-9-15(5-6-18(17)26)10-19(27)20-14-30-16(12-28)13-31-20/h5-6,9-10,13-14,21H,2-4,7-8,11H2,1H3,(H2,29,32)/b19-10-/t21-,24+,25-/m0/s1
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n/an/a 1.67E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372810
PNG
((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(...)
Show SMILES CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3cnco3)cn2)ccc1F
Show InChI InChI=1S/C24H22F2N6O3S/c1-23(19-7-24(19,21(33)28-2)36-22(27)32-23)15-5-13(3-4-16(15)25)6-17(26)18-9-31-20(10-30-18)34-11-14-8-29-12-35-14/h3-6,8-10,12,19H,7,11H2,1-2H3,(H2,27,32)(H,28,33)/b17-6-/t19-,23+,24-/m0/s1
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n/an/a 1.85E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372929
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((S)-3-ethylmorp...)
Show SMILES CC[C@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C27H27F2N5O2S/c1-3-18-15-36-9-8-34(18)24(35)27-12-23(27)26(2,33-25(31)37-27)19-10-16(4-6-20(19)28)11-21(29)22-7-5-17(13-30)14-32-22/h4-7,10-11,14,18,23H,3,8-9,12,15H2,1-2H3,(H2,31,33)/b21-11-/t18-,23-,26+,27-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372894
PNG
((1S,5S,6S)-3-amino-N-(2,2-difluoroethyl)-5-(2-fluo...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NCC(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F
Show InChI InChI=1S/C23H20F4N6O2S/c1-3-4-35-18-11-29-15(9-30-18)14(24)6-12-5-13(19(27)31-8-12)22(2)16-7-23(16,36-21(28)33-22)20(34)32-10-17(25)26/h1,5-6,8-9,11,16-17H,4,7,10H2,2H3,(H2,28,33)(H,32,34)/b14-6-/t16-,22+,23-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372813
PNG
((1R,5S,6S)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(2,2,2...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F
Show InChI InChI=1S/C21H19F5N4O3S2/c1-19(16-7-20(16,35(2,31)32)34-18(27)30-19)12-5-11(3-4-13(12)22)6-14(23)15-8-29-17(9-28-15)33-10-21(24,25)26/h3-6,8-9,16H,7,10H2,1-2H3,(H2,27,30)/b14-6-/t16-,19+,20+/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372891
PNG
(((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C26H24F3N5O2S/c1-3-8-36-22-13-31-20(12-32-22)19(29)10-15-4-5-18(28)17(9-15)25(2)21-11-26(21,37-24(30)33-25)23(35)34-7-6-16(27)14-34/h1,4-5,9-10,12-13,16,21H,6-8,11,14H2,2H3,(H2,30,33)/b19-10-/t16-,21+,25-,26+/m1/s1
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n/an/a 2.37E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372941
PNG
(3-(5-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(mor...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)N2CCOC2=O)ccc1F
Show InChI InChI=1/C26H26F2N6O4S/c1-25(20-12-26(20,39-23(29)32-25)22(35)33-4-7-37-8-5-33)16-10-15(2-3-17(16)27)11-18(28)19-13-31-21(14-30-19)34-6-9-38-24(34)36/h2-3,10-11,13-14,20H,4-9,12H2,1H3,(H2,29,32)/b18-11-/t20-,25+,26-/s2
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n/an/a 2.55E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372954
PNG
((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(3,3-dimethylbut...)
Show SMILES CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#CC(C)(C)C)ccc1F
Show InChI InChI=1S/C27H28F2N4OS/c1-25(2,3)11-10-16-7-9-21(32-15-16)20(29)13-17-6-8-19(28)18(12-17)26(4)22-14-27(22,23(34)31-5)35-24(30)33-26/h6-9,12-13,15,22H,14H2,1-5H3,(H2,30,33)(H,31,34)/b20-13-/t22-,26+,27-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372948
PNG
(((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#C[Si](C)(C)C)ccc1F
Show InChI InChI=1S/C29H32F2N4O2SSi/c1-28(25-17-29(25,38-27(32)34-28)26(36)35-10-12-37-13-11-35)21-15-20(5-7-22(21)30)16-23(31)24-8-6-19(18-33-24)9-14-39(2,3)4/h5-8,15-16,18,25H,10-13,17H2,1-4H3,(H2,32,34)/b23-16-/t25-,28+,29-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372804
PNG
((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanothiophen-2-...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(s2)C#N)ccc1F
Show InChI InChI=1S/C22H20F2N4OS2/c1-21(18-10-22(18,19(29)28(2)3)31-20(26)27-21)14-8-12(4-6-15(14)23)9-16(24)17-7-5-13(11-25)30-17/h4-9,18H,10H2,1-3H3,(H2,26,27)/b16-9-/t18-,21+,22-/m0/s1
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n/an/a 2.64E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372917
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((R)-3-isopropyl...)
Show SMILES CC(C)[C@@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C28H29F2N5O2S/c1-16(2)23-15-37-9-8-35(23)25(36)28-12-24(28)27(3,34-26(32)38-28)19-10-17(4-6-20(19)29)11-21(30)22-7-5-18(13-31)14-33-22/h4-7,10-11,14,16,23-24H,8-9,12,15H2,1-3H3,(H2,32,34)/b21-11-/t23-,24-,27+,28-/m0/s1
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n/an/a 2.78E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372952
PNG
(((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(cyclopropyleth...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#CC2CC2)ccc1F
Show InChI InChI=1S/C29H28F2N4O2S/c1-28(25-16-29(25,38-27(32)34-28)26(36)35-10-12-37-13-11-35)21-14-20(6-8-22(21)30)15-23(31)24-9-7-19(17-33-24)5-4-18-2-3-18/h6-9,14-15,17-18,25H,2-3,10-13,16H2,1H3,(H2,32,34)/b23-15-/t25-,28+,29-/m0/s1
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n/an/a 2.91E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372956
PNG
((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-(...)
Show SMILES CCCC#Cc1ccc(nc1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)NC
Show InChI InChI=1S/C26H26F2N4OS/c1-4-5-6-7-16-9-11-21(31-15-16)20(28)13-17-8-10-19(27)18(12-17)25(2)22-14-26(22,23(33)30-3)34-24(29)32-25/h8-13,15,22H,4-5,14H2,1-3H3,(H2,29,32)(H,30,33)/b20-13-/t22-,25+,26-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372897
PNG
(((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](F)C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C26H24F3N5O2S/c1-3-8-36-22-13-31-20(12-32-22)19(29)10-15-4-5-18(28)17(9-15)25(2)21-11-26(21,37-24(30)33-25)23(35)34-7-6-16(27)14-34/h1,4-5,9-10,12-13,16,21H,6-8,11,14H2,2H3,(H2,30,33)/b19-10-/t16-,21-,25+,26-/m0/s1
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n/an/a 3.46E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372788
PNG
(5-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(pyrrol...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F
Show InChI InChI=1S/C24H22F2N6OS/c1-23(20-10-24(20,34-22(28)31-23)21(33)32-6-2-3-7-32)16-8-14(4-5-17(16)25)9-18(26)19-13-29-15(11-27)12-30-19/h4-5,8-9,12-13,20H,2-3,6-7,10H2,1H3,(H2,28,31)/b18-9-/t20-,23+,24-/m0/s1
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n/an/a 3.82E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372753
PNG
((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-bromopyrazin-2-y...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Br)cn2)ccc1F
Show InChI InChI=1S/C21H20BrF2N5OS/c1-20(16-8-21(16,18(30)29(2)3)31-19(25)28-20)12-6-11(4-5-13(12)23)7-14(24)15-9-27-17(22)10-26-15/h4-7,9-10,16H,8H2,1-3H3,(H2,25,28)/b14-7-/t16-,20+,21-/m0/s1
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n/an/a 3.91E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372953
PNG
((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(cyclopropylethy...)
Show SMILES CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#CC2CC2)ccc1F
Show InChI InChI=1S/C26H24F2N4OS/c1-25(22-13-26(22,23(33)30-2)34-24(29)32-25)18-11-17(7-9-19(18)27)12-20(28)21-10-8-16(14-31-21)6-5-15-3-4-15/h7-12,14-15,22H,3-4,13H2,1-2H3,(H2,29,32)(H,30,33)/b20-12-/t22-,25+,26-/m0/s1
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n/an/a 3.98E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372923
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((S)-3-(methoxym...)
Show SMILES COC[C@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C27H27F2N5O3S/c1-26(19-9-16(3-5-20(19)28)10-21(29)22-6-4-17(12-30)13-32-22)23-11-27(23,38-25(31)33-26)24(35)34-7-8-37-15-18(34)14-36-2/h3-6,9-10,13,18,23H,7-8,11,14-15H2,1-2H3,(H2,31,33)/b21-10-/t18-,23-,26+,27-/m0/s1
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n/an/a 4.03E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372872
PNG
(((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1[C@H]2COC[C@@H]1COC2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C28H27F2N5O4S/c1-3-6-39-24-11-32-22(10-33-24)21(30)8-16-4-5-20(29)19(7-16)27(2)23-9-28(23,40-26(31)34-27)25(36)35-17-12-37-14-18(35)15-38-13-17/h1,4-5,7-8,10-11,17-18,23H,6,9,12-15H2,2H3,(H2,31,34)/b21-8-/t17-,18+,23-,27+,28-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372715
PNG
(((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2...)
Show SMILES C[C@H]1CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C24H23ClF2N4OS/c1-13-7-8-31(13)21(32)24-11-20(24)23(2,30-22(28)33-24)16-9-14(3-5-17(16)26)10-18(27)19-6-4-15(25)12-29-19/h3-6,9-10,12-13,20H,7-8,11H2,1-2H3,(H2,28,30)/b18-10-/t13-,20-,23+,24-/m0/s1
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n/an/a 4.23E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372741
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(3-meth...)
Show SMILES CC1CCCN(C1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C27H27F2N5OS/c1-16-4-3-9-34(15-16)24(35)27-12-23(27)26(2,33-25(31)36-27)19-10-17(5-7-20(19)28)11-21(29)22-8-6-18(13-30)14-32-22/h5-8,10-11,14,16,23H,3-4,9,12,15H2,1-2H3,(H2,31,33)/b21-11-/t16?,23-,26+,27-/m0/s1
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n/an/a 4.26E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372733
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(3,5-dimethylpip...)
Show SMILES CC1CC(C)CN(C1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C28H29F2N5OS/c1-16-8-17(2)15-35(14-16)25(36)28-11-24(28)27(3,34-26(32)37-28)20-9-18(4-6-21(20)29)10-22(30)23-7-5-19(12-31)13-33-23/h4-7,9-10,13,16-17,24H,8,11,14-15H2,1-3H3,(H2,32,34)/b22-10-/t16?,17?,24-,27+,28-/m0/s1
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n/an/a 4.32E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372812
PNG
((1R,5S,6S)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-((5-me...)
Show SMILES Cc1nnc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@@]2(C)N=C(N)S[C@]3(C[C@@H]23)S(C)(=O)=O)o1
Show InChI InChI=1S/C23H22F2N6O4S2/c1-12-30-31-20(35-12)11-34-19-10-27-17(9-28-19)16(25)7-13-4-5-15(24)14(6-13)22(2)18-8-23(18,37(3,32)33)36-21(26)29-22/h4-7,9-10,18H,8,11H2,1-3H3,(H2,26,29)/b16-7-/t18-,22+,23+/m0/s1
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n/an/a 4.63E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372786
PNG
(5-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((S)-3-fluoropyr...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](F)C1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F
Show InChI InChI=1S/C24H21F3N6OS/c1-23(20-8-24(20,35-22(29)32-23)21(34)33-5-4-14(25)12-33)16-6-13(2-3-17(16)26)7-18(27)19-11-30-15(9-28)10-31-19/h2-3,6-7,10-11,14,20H,4-5,8,12H2,1H3,(H2,29,32)/b18-7-/t14-,20-,23+,24-/m0/s1
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n/an/a 4.73E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372787
PNG
(5-((Z)-2-(3-((1S,5S,6S)-3-amino-1-((R)-3-fluoropyr...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F
Show InChI InChI=1S/C24H21F3N6OS/c1-23(20-8-24(20,35-22(29)32-23)21(34)33-5-4-14(25)12-33)16-6-13(2-3-17(16)26)7-18(27)19-11-30-15(9-28)10-31-19/h2-3,6-7,10-11,14,20H,4-5,8,12H2,1H3,(H2,29,32)/b18-7-/t14-,20+,23-,24+/m1/s1
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n/an/a 4.77E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372815
PNG
((1R,5S,6S)-5-(5-((Z)-2-(5-(but-2-yn-1-yloxy)pyrazi...)
Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O
Show InChI InChI=1S/C23H22F2N4O3S2/c1-4-5-8-32-20-13-27-18(12-28-20)17(25)10-14-6-7-16(24)15(9-14)22(2)19-11-23(19,34(3,30)31)33-21(26)29-22/h6-7,9-10,12-13,19H,8,11H2,1-3H3,(H2,26,29)/b17-10-/t19-,22+,23+/m0/s1
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n/an/a 4.78E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372898
PNG
(((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-...)
Show SMILES C[C@@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C27H27F2N5O3S/c1-4-8-37-23-14-31-21(13-32-23)20(29)11-17-5-6-19(28)18(10-17)26(3)22-12-27(22,38-25(30)33-26)24(35)34-7-9-36-15-16(34)2/h1,5-6,10-11,13-14,16,22H,7-9,12,15H2,2-3H3,(H2,30,33)/b20-11-/t16-,22+,26-,27+/m1/s1
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n/an/a 4.82E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372783
PNG
((1S,5S,6S)-3-amino-5-(5-((Z)-2-(4-cyanophenyl)-1-f...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C(\F)=C\c1ccc(cc1)C#N
Show InChI InChI=1S/C24H22F2N4OS/c1-23(20-12-24(20,21(31)30(2)3)32-22(28)29-23)17-11-16(8-9-18(17)25)19(26)10-14-4-6-15(13-27)7-5-14/h4-11,20H,12H2,1-3H3,(H2,28,29)/b19-10-/t20-,23+,24-/m0/s1
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n/an/a 4.87E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372783
PNG
((1S,5S,6S)-3-amino-5-(5-((Z)-2-(4-cyanophenyl)-1-f...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C(\F)=C\c1ccc(cc1)C#N
Show InChI InChI=1S/C24H22F2N4OS/c1-23(20-12-24(20,21(31)30(2)3)32-22(28)29-23)17-11-16(8-9-18(17)25)19(26)10-14-4-6-15(13-27)7-5-14/h4-11,20H,12H2,1-3H3,(H2,28,29)/b19-10-/t20-,23+,24-/m0/s1
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Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372946
PNG
(((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-(azetidin-1-yl)...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)N2CCC2)ccc1F
Show InChI InChI=1S/C26H28F2N6O2S/c1-25(21-13-26(21,37-24(29)32-25)23(35)34-7-9-36-10-8-34)17-11-16(3-4-18(17)27)12-19(28)20-14-31-22(15-30-20)33-5-2-6-33/h3-4,11-12,14-15,21H,2,5-10,13H2,1H3,(H2,29,32)/b19-12-/t21-,25+,26-/m0/s1
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Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372717
PNG
((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-y...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NC1CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C24H21F2N5OS/c1-23(20-10-24(20,33-22(28)31-23)21(32)30-15-4-5-15)16-8-13(2-6-17(16)25)9-18(26)19-7-3-14(11-27)12-29-19/h2-3,6-9,12,15,20H,4-5,10H2,1H3,(H2,28,31)(H,30,32)/b18-9-/t20-,23+,24-/m0/s1
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n/an/a 5.29E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372835
PNG
((1S,5S,6S)-3-amino-5-(5-((Z)-2-(6-cyanoimidazo[1,2...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cn3cc(ccc3n2)C#N)ccc1F
Show InChI InChI=1S/C25H22F2N6OS/c1-24(20-10-25(20,22(34)32(2)3)35-23(29)31-24)16-8-14(4-6-17(16)26)9-18(27)19-13-33-12-15(11-28)5-7-21(33)30-19/h4-9,12-13,20H,10H2,1-3H3,(H2,29,31)/b18-9-/t20-,24+,25-/m0/s1
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n/an/a 5.31E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372811
PNG
((1R,5S,6S)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C22H20F2N4O3S2/c1-4-7-31-19-12-26-17(11-27-19)16(24)9-13-5-6-15(23)14(8-13)21(2)18-10-22(18,33(3,29)30)32-20(25)28-21/h1,5-6,8-9,11-12,18H,7,10H2,2-3H3,(H2,25,28)/b16-9-/t18-,21+,22+/m0/s1
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n/an/a 5.51E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372793
PNG
((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoropent...)
Show SMILES CC#C\C(F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N(C)C
Show InChI InChI=1S/C20H21F2N3OS/c1-5-6-13(21)9-12-7-8-15(22)14(10-12)19(2)16-11-20(16,17(26)25(3)4)27-18(23)24-19/h7-10,16H,11H2,1-4H3,(H2,23,24)/b13-9-/t16-,19+,20-/m0/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372919
PNG
(6-((Z)-2-(3-((1S,5S,6S)-3-amino-1-(3,3-difluoropip...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC(F)(F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C26H23F4N5OS/c1-24(17-9-15(3-5-18(17)27)10-19(28)20-6-4-16(12-31)13-33-20)21-11-26(21,37-23(32)34-24)22(36)35-8-2-7-25(29,30)14-35/h3-6,9-10,13,21H,2,7-8,11,14H2,1H3,(H2,32,34)/b19-10-/t21-,24+,26-/m0/s1
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Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372711
PNG
((1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-chloropyridin-2-...)
Show SMILES CC(O)CCNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C24H25ClF2N4O2S/c1-13(32)7-8-29-21(33)24-11-20(24)23(2,31-22(28)34-24)16-9-14(3-5-17(16)26)10-18(27)19-6-4-15(25)12-30-19/h3-6,9-10,12-13,20,32H,7-8,11H2,1-2H3,(H2,28,31)(H,29,33)/b18-10-/t13?,20-,23+,24-/m0/s1
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n/an/a 5.76E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM372889
PNG
(((1S,5S,6S)-3-amino-5-(2-fluoro-5-((Z)-2-fluoro-2-...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F
Show InChI InChI=1S/C25H23F3N6O2S/c1-3-6-36-20-12-30-18(11-31-20)17(27)8-14-7-16(21(28)32-10-14)24(2)19-9-25(19,37-23(29)33-24)22(35)34-5-4-15(26)13-34/h1,7-8,10-12,15,19H,4-6,9,13H2,2H3,(H2,29,33)/b17-8-/t15-,19+,24-,25+/m1/s1
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n/an/a 5.86E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


US Patent US10246429 (2019)

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Ligand-Target Pair
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