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Patent code US11014963

Compile Data Set for Download or QSAR

Found 205 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499311
PNG
(US11014963, Example 216)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)c2ccccn2)cc1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C39H37ClF5N5O6/c1-22(2)31(33(51)39(43,44)45)49-36(54)32(25-14-16-28(56-3)17-15-25)50-35(53)30(48-37(55)38(41,42)26-7-6-8-27(40)20-26)19-23-10-12-24(13-11-23)21-47-34(52)29-9-4-5-18-46-29/h4-18,20,22,30-32H,19,21H2,1-3H3,(H,47,52)(H,48,55)(H,49,54)(H,50,53)/t30-,31-,32-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499107
PNG
(US11014963, Example 17)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(OCC(=O)OC(C)(C)C)cc1)NC(=O)C(F)(F)c1ccccc1Cl)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C38H41ClF5N3O8/c1-21(2)30(32(49)38(42,43)44)46-34(51)31(23-13-17-24(53-6)18-14-23)47-33(50)28(45-35(52)37(40,41)26-9-7-8-10-27(26)39)19-22-11-15-25(16-12-22)54-20-29(48)55-36(3,4)5/h7-18,21,28,30-31H,19-20H2,1-6H3,(H,45,52)(H,46,51)(H,47,50)/t28-,30-,31-/m0/s1
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n/an/a 0.490n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499266
PNG
(US11014963, Example 166)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C38H42ClF5N4O7/c1-21(2)29(31(49)38(42,43)44)47-33(51)30(24-14-16-27(54-6)17-15-24)48-32(50)28(46-34(52)37(40,41)25-8-7-9-26(39)19-25)18-22-10-12-23(13-11-22)20-45-35(53)55-36(3,4)5/h7-17,19,21,28-30H,18,20H2,1-6H3,(H,45,53)(H,46,52)(H,47,51)(H,48,50)/t28-,29-,30-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499267
PNG
(US11014963, Example 170)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@@H](C(C)C)c1ccc(Cl)cc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C41H50ClF3N4O7/c1-23(2)32(27-13-17-29(42)18-14-27)37(52)47-31(21-25-9-11-26(12-10-25)22-46-39(54)56-40(5,6)7)36(51)49-34(28-15-19-30(55-8)20-16-28)38(53)48-33(24(3)4)35(50)41(43,44)45/h9-20,23-24,31-34H,21-22H2,1-8H3,(H,46,54)(H,47,52)(H,48,53)(H,49,51)/t31-,32-,33-,34-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499264
PNG
(US11014963, Example 163)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C33H42ClF3N4O7/c1-19(2)25(27(42)33(35,36)37)40-30(45)26(20-13-15-23(47-6)16-14-20)41-29(44)24(39-28(43)21-10-9-11-22(34)18-21)12-7-8-17-38-31(46)48-32(3,4)5/h9-11,13-16,18-19,24-26H,7-8,12,17H2,1-6H3,(H,38,46)(H,39,43)(H,40,45)(H,41,44)/t24-,25-,26-/m0/s1
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n/an/a 0.602n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499097
PNG
(US11014963, Example 8)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C33H30ClF5N4O5/c1-18(2)26(28(44)33(37,38)39)42-30(46)27(21-10-12-24(48-3)13-11-21)43-29(45)25(15-19-6-4-7-20(14-19)17-40)41-31(47)32(35,36)22-8-5-9-23(34)16-22/h4-14,16,18,25-27H,15H2,1-3H3,(H,41,47)(H,42,46)(H,43,45)/t25-,26-,27-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499095
PNG
(US11014963, Example 6)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C32H30ClF6N3O5/c1-17(2)25(27(43)32(37,38)39)41-29(45)26(19-10-12-23(47-3)13-11-19)42-28(44)24(15-18-6-4-9-22(34)14-18)40-30(46)31(35,36)20-7-5-8-21(33)16-20/h4-14,16-17,24-26H,15H2,1-3H3,(H,40,46)(H,41,45)(H,42,44)/t24-,25-,26-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499222
PNG
((2S)-3-(3-Chlorophenyl)-2-[[2-(3-chlorophenyl)acet...)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)Cc1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C32H32Cl2F3N3O5/c1-18(2)27(29(42)32(35,36)37)39-31(44)28(21-10-12-24(45-3)13-11-21)40-30(43)25(16-19-6-4-8-22(33)14-19)38-26(41)17-20-7-5-9-23(34)15-20/h4-15,18,25,27-28H,16-17H2,1-3H3,(H,38,41)(H,39,44)(H,40,43)/t25-,27-,28-/m0/s1
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n/an/a 0.695n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499291
PNG
((2S)-2-[[2-(2,5-Dichlorophenyl)-2,2-difluoroacetyl...)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](CO)NC(=O)C(F)(F)c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H26Cl2F5N3O6/c1-12(2)19(21(38)26(31,32)33)35-23(40)20(13-4-7-15(42-3)8-5-13)36-22(39)18(11-37)34-24(41)25(29,30)14-6-9-16(27)17(28)10-14/h4-10,12,18-20,37H,11H2,1-3H3,(H,34,41)(H,35,40)(H,36,39)/t18-,19-,20-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499179
PNG
(US11014963, Example 73)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C38H41F3N4O8/c1-22(2)31(33(47)38(39,40)41)44-36(50)32(25-13-15-27(51-6)16-14-25)45-35(49)29(18-23-9-7-10-24(17-23)20-42)43-34(48)26-11-8-12-28(19-26)52-21-30(46)53-37(3,4)5/h7-17,19,22,29,31-32H,18,21H2,1-6H3,(H,43,48)(H,44,50)(H,45,49)/t29-,31-,32-/m0/s1
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n/an/a 0.710n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499140
PNG
(US11014963, Example 47)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@@H](CCC(=O)OC(C)(C)C)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C32H37ClF5N3O7/c1-17(2)24(26(43)32(36,37)38)40-28(45)25(18-10-12-21(47-6)13-11-18)41-27(44)22(14-15-23(42)48-30(3,4)5)39-29(46)31(34,35)19-8-7-9-20(33)16-19/h7-13,16-17,22,24-25H,14-15H2,1-6H3,(H,39,46)(H,40,45)(H,41,44)/t22-,24+,25+/m1/s1
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n/an/a 0.760n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499265
PNG
(US11014963, Example 165)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C37H42ClF3N4O7/c1-21(2)29(31(46)37(39,40)41)44-34(49)30(24-14-16-27(51-6)17-15-24)45-33(48)28(43-32(47)25-8-7-9-26(38)19-25)18-22-10-12-23(13-11-22)20-42-35(50)52-36(3,4)5/h7-17,19,21,28-30H,18,20H2,1-6H3,(H,42,50)(H,43,47)(H,44,49)(H,45,48)/t28-,29-,30-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499096
PNG
(US11014963, Example 7)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)C(F)(F)c1ccccc1Cl)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C32H30ClF6N3O5/c1-17(2)25(27(43)32(37,38)39)41-29(45)26(19-11-13-21(47-3)14-12-19)42-28(44)24(16-18-7-6-8-20(34)15-18)40-30(46)31(35,36)22-9-4-5-10-23(22)33/h4-15,17,24-26H,16H2,1-3H3,(H,40,46)(H,41,45)(H,42,44)/t24-,25-,26-/m0/s1
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n/an/a 0.830n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499268
PNG
(US11014963, Example 171)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@H](C(C)C)c1ccc(Cl)cc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C41H50ClF3N4O7/c1-23(2)32(27-13-17-29(42)18-14-27)37(52)47-31(21-25-9-11-26(12-10-25)22-46-39(54)56-40(5,6)7)36(51)49-34(28-15-19-30(55-8)20-16-28)38(53)48-33(24(3)4)35(50)41(43,44)45/h9-20,23-24,31-34H,21-22H2,1-8H3,(H,46,54)(H,47,52)(H,48,53)(H,49,51)/t31-,32+,33-,34-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499230
PNG
(US11014963, Example 129)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](C)NC(=O)C1(CCCC1)c1ccc(Cl)cc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H35ClF3N3O5/c1-17(2)23(25(38)30(32,33)34)36-27(40)24(19-7-13-22(42-4)14-8-19)37-26(39)18(3)35-28(41)29(15-5-6-16-29)20-9-11-21(31)12-10-20/h7-14,17-18,23-24H,5-6,15-16H2,1-4H3,(H,35,41)(H,36,40)(H,37,39)/t18-,23-,24-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499128
PNG
(US11014963, Example 35)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@@H](C)NC(=O)C(F)(F)c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H26Cl2F5N3O5/c1-12(2)19(21(37)26(31,32)33)35-23(39)20(14-5-8-16(41-4)9-6-14)36-22(38)13(3)34-24(40)25(29,30)15-7-10-17(27)18(28)11-15/h5-13,19-20H,1-4H3,(H,34,40)(H,35,39)(H,36,38)/t13-,19+,20+/m1/s1
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n/an/a 0.970n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499170
PNG
(US11014963, Example 64)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)c(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C37H41Cl2F3N4O7/c1-20(2)29(31(47)37(40,41)42)45-34(50)30(22-12-14-26(52-6)15-13-22)46-33(49)28(17-21-8-7-9-25(38)16-21)44-32(48)23-10-11-24(27(39)18-23)19-43-35(51)53-36(3,4)5/h7-16,18,20,28-30H,17,19H2,1-6H3,(H,43,51)(H,44,48)(H,45,50)(H,46,49)/t28-,29-,30-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499109
PNG
(US11014963, Example 19)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(OCC(=O)OC(C)(C)C)c1)NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C37H41ClF3N3O8/c1-21(2)30(32(46)37(39,40)41)43-35(49)31(23-13-15-26(50-6)16-14-23)44-34(48)28(42-33(47)24-10-8-11-25(38)19-24)18-22-9-7-12-27(17-22)51-20-29(45)52-36(3,4)5/h7-17,19,21,28,30-31H,18,20H2,1-6H3,(H,42,47)(H,43,49)(H,44,48)/t28-,30-,31-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499307
PNG
(US11014963, Example 212)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](CCCCNC(=O)c1cnccn1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C34H36ClF5N6O6/c1-19(2)26(28(47)34(38,39)40)45-31(50)27(20-10-12-23(52-3)13-11-20)46-30(49)24(9-4-5-14-43-29(48)25-18-41-15-16-42-25)44-32(51)33(36,37)21-7-6-8-22(35)17-21/h6-8,10-13,15-19,24,26-27H,4-5,9,14H2,1-3H3,(H,43,48)(H,44,51)(H,45,50)(H,46,49)/t24-,26-,27-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499110
PNG
(US11014963, Example 20)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(OCC(=O)OC(C)(C)C)c1)NC(=O)C(F)(F)c1ccccc1Cl)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C38H41ClF5N3O8/c1-21(2)30(32(49)38(42,43)44)46-34(51)31(23-14-16-24(53-6)17-15-23)47-33(50)28(45-35(52)37(40,41)26-12-7-8-13-27(26)39)19-22-10-9-11-25(18-22)54-20-29(48)55-36(3,4)5/h7-18,21,28,30-31H,19-20H2,1-6H3,(H,45,52)(H,46,51)(H,47,50)/t28-,30-,31-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499102
PNG
(US11014963, Example 13 | US11014963, Example 14)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccccc1C#N)NC(=O)c1ccccn1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C31H30F3N5O5/c1-18(2)25(27(40)31(32,33)34)38-30(43)26(19-11-13-22(44-3)14-12-19)39-29(42)24(16-20-8-4-5-9-21(20)17-35)37-28(41)23-10-6-7-15-36-23/h4-15,18,24-26H,16H2,1-3H3,(H,37,41)(H,38,43)(H,39,42)/t24-,25-,26-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499089
PNG
(N-[(2S)-3-(3-Chlorophenyl)-1-[[(1S)-1-(4-methoxyph...)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C31H31ClF3N3O5/c1-18(2)25(27(39)31(33,34)35)37-30(42)26(20-12-14-23(43-3)15-13-20)38-29(41)24(17-19-8-7-11-22(32)16-19)36-28(40)21-9-5-4-6-10-21/h4-16,18,24-26H,17H2,1-3H3,(H,36,40)(H,37,42)(H,38,41)/t24-,25-,26-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499108
PNG
(US11014963, Example 18)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(OCC(=O)OC(C)(C)C)cc1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C38H41ClF5N3O8/c1-21(2)30(32(49)38(42,43)44)46-34(51)31(23-12-16-26(53-6)17-13-23)47-33(50)28(45-35(52)37(40,41)24-8-7-9-25(39)19-24)18-22-10-14-27(15-11-22)54-20-29(48)55-36(3,4)5/h7-17,19,21,28,30-31H,18,20H2,1-6H3,(H,45,52)(H,46,51)(H,47,50)/t28-,30-,31-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499223
PNG
(US11014963, Example 122)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)C1(CC1)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C34H34Cl2F3N3O5/c1-19(2)27(29(43)34(37,38)39)41-31(45)28(21-10-12-25(47-3)13-11-21)42-30(44)26(17-20-6-4-8-23(35)16-20)40-32(46)33(14-15-33)22-7-5-9-24(36)18-22/h4-13,16,18-19,26-28H,14-15,17H2,1-3H3,(H,40,46)(H,41,45)(H,42,44)/t26-,27-,28-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499271
PNG
(US11014963, Example 175)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)C(Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C(c1cccc(c1)C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C39H42F9N3O6/c1-21(2)30(32(52)39(46,47)48)50-34(54)31(24-14-16-27(56-6)17-15-24)51-33(53)28(29(38(43,44)45)25-8-7-9-26(19-25)37(40,41)42)18-22-10-12-23(13-11-22)20-49-35(55)57-36(3,4)5/h7-17,19,21,28-31H,18,20H2,1-6H3,(H,49,55)(H,50,54)(H,51,53)/t28?,29?,30-,31-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499283
PNG
(US11014963, Example 188)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)C1(CCCC1)c1ccc(Cl)cc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C37H42ClF3N4O5/c1-22(2)30(32(46)37(39,40)41)44-34(48)31(25-10-16-28(50-3)17-11-25)45-33(47)29(20-23-6-8-24(21-42)9-7-23)43-35(49)36(18-4-5-19-36)26-12-14-27(38)15-13-26/h6-17,22,29-31H,4-5,18-21,42H2,1-3H3,(H,43,49)(H,44,48)(H,45,47)/t29-,30-,31-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499132
PNG
(US11014963, Example 39)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H35ClF5N3O6/c1-16(2)22(24(40)30(34,35)36)38-26(42)23(17-10-12-20(44-6)13-11-17)39-25(41)21(15-45-28(3,4)5)37-27(43)29(32,33)18-8-7-9-19(31)14-18/h7-14,16,21-23H,15H2,1-6H3,(H,37,43)(H,38,42)(H,39,41)/t21-,22+,23+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499098
PNG
(US11014963, Example 9)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H28ClF3N4O5S/c1-16(2)24(26(39)30(32,33)34)37-29(42)25(19-7-9-20(43-3)10-8-19)38-27(40)21(14-17-5-4-6-18(13-17)15-35)36-28(41)22-11-12-23(31)44-22/h4-13,16,21,24-25H,14H2,1-3H3,(H,36,41)(H,37,42)(H,38,40)/t21-,24-,25-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499233
PNG
(US11014963, Example 132)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c1ccccc1C(F)(F)F)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H27F8N3O5/c1-13(2)19(21(39)27(33,34)35)37-23(41)20(15-9-11-16(43-4)12-10-15)38-22(40)14(3)36-24(42)25(28,29)17-7-5-6-8-18(17)26(30,31)32/h5-14,19-20H,1-4H3,(H,36,42)(H,37,41)(H,38,40)/t14-,19-,20-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499169
PNG
(US11014963, Example 63)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C37H42ClF3N4O7/c1-21(2)29(31(46)37(39,40)41)44-34(49)30(24-14-16-27(51-6)17-15-24)45-33(48)28(19-23-8-7-9-26(38)18-23)43-32(47)25-12-10-22(11-13-25)20-42-35(50)52-36(3,4)5/h7-18,21,28-30H,19-20H2,1-6H3,(H,42,50)(H,43,47)(H,44,49)(H,45,48)/t28-,29-,30-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499297
PNG
(US11014963, Example 202)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](CO)NC(=O)C1(CCCC1)c1ccc(Cl)cc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H35ClF3N3O6/c1-17(2)23(25(39)30(32,33)34)36-27(41)24(18-6-12-21(43-3)13-7-18)37-26(40)22(16-38)35-28(42)29(14-4-5-15-29)19-8-10-20(31)11-9-19/h6-13,17,22-24,38H,4-5,14-16H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)/t22-,23-,24-/m0/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499228
PNG
(US11014963, Example 127)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H26Cl2F5N3O5/c1-12(2)19(21(37)26(31,32)33)35-23(39)20(14-8-10-15(41-4)11-9-14)36-22(38)13(3)34-24(40)25(29,30)16-6-5-7-17(27)18(16)28/h5-13,19-20H,1-4H3,(H,34,40)(H,35,39)(H,36,38)/t13-,19-,20-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499231
PNG
(US11014963, Example 130)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](C)NC(=O)C(F)(F)c1ccccc1OC(F)(F)F)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H27F8N3O6/c1-13(2)19(21(39)26(30,31)32)37-23(41)20(15-9-11-16(43-4)12-10-15)38-22(40)14(3)36-24(42)25(28,29)17-7-5-6-8-18(17)44-27(33,34)35/h5-14,19-20H,1-4H3,(H,36,42)(H,37,41)(H,38,40)/t14-,19-,20-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499178
PNG
(US11014963, Example 72)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)COc1ccc(OCC(=O)OC(C)(C)C)cc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C38H43ClF3N3O9/c1-22(2)32(34(48)38(40,41)42)44-36(50)33(24-10-12-26(51-6)13-11-24)45-35(49)29(19-23-8-7-9-25(39)18-23)43-30(46)20-52-27-14-16-28(17-15-27)53-21-31(47)54-37(3,4)5/h7-18,22,29,32-33H,19-21H2,1-6H3,(H,43,46)(H,44,50)(H,45,49)/t29-,32-,33-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499199
PNG
(US11014963, Example 98)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(CN)c(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C32H33Cl2F3N4O5/c1-17(2)26(28(42)32(35,36)37)40-31(45)27(19-9-11-23(46-3)12-10-19)41-30(44)25(14-18-5-4-6-22(33)13-18)39-29(43)20-7-8-21(16-38)24(34)15-20/h4-13,15,17,25-27H,14,16,38H2,1-3H3,(H,39,43)(H,40,45)(H,41,44)/t25-,26-,27-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499127
PNG
(US11014963, Example 34)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@@H](C)NC(=O)C(F)(F)c1ccc(Cl)cc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H27ClF5N3O5/c1-13(2)19(21(36)26(30,31)32)34-23(38)20(15-5-11-18(40-4)12-6-15)35-22(37)14(3)33-24(39)25(28,29)16-7-9-17(27)10-8-16/h5-14,19-20H,1-4H3,(H,33,39)(H,34,38)(H,35,37)/t14-,19+,20+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499137
PNG
(US11014963, Example 44)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C32H33ClF3N3O6/c1-19(2)26(28(40)32(34,35)36)38-31(43)27(21-12-14-24(44-3)15-13-21)39-30(42)25(18-45-17-20-8-5-4-6-9-20)37-29(41)22-10-7-11-23(33)16-22/h4-16,19,25-27H,17-18H2,1-3H3,(H,37,41)(H,38,43)(H,39,42)/t25-,26+,27+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499224
PNG
(US11014963, Example 123)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H28BrF3N4O5S/c1-16(2)24(26(39)30(32,33)34)37-29(42)25(19-7-9-20(43-3)10-8-19)38-27(40)21(14-17-5-4-6-18(13-17)15-35)36-28(41)22-11-12-23(31)44-22/h4-13,16,21,24-25H,14H2,1-3H3,(H,36,41)(H,37,42)(H,38,40)/t21-,24-,25-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499281
PNG
(US11014963, Example 186)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C33H34ClF5N4O5/c1-18(2)26(28(44)33(37,38)39)42-30(46)27(21-11-13-24(48-3)14-12-21)43-29(45)25(15-19-7-9-20(17-40)10-8-19)41-31(47)32(35,36)22-5-4-6-23(34)16-22/h4-14,16,18,25-27H,15,17,40H2,1-3H3,(H,41,47)(H,42,46)(H,43,45)/t25-,26-,27-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499092
PNG
(US11014963, Example 4)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C31H30ClF4N3O5/c1-17(2)25(27(40)31(34,35)36)38-30(43)26(19-10-12-23(44-3)13-11-19)39-29(42)24(15-18-6-4-9-22(33)14-18)37-28(41)20-7-5-8-21(32)16-20/h4-14,16-17,24-26H,15H2,1-3H3,(H,37,41)(H,38,43)(H,39,42)/t24-,25-,26-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499135
PNG
(US11014963, Example 42)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H33ClF3N3O6S/c1-14(2)20(22(35)27(29,30)31)33-25(38)21(15-7-9-16(39-6)10-8-15)34-23(36)17(13-40-26(3,4)5)32-24(37)18-11-12-19(28)41-18/h7-12,14,17,20-21H,13H2,1-6H3,(H,32,37)(H,33,38)(H,34,36)/t17-,20+,21+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499242
PNG
(US11014963, Example 141)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](C)NC(=O)C(C(C)C)c1ccc(Cl)cc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H35ClF3N3O5/c1-15(2)22(18-7-11-20(30)12-8-18)27(39)34-17(5)26(38)36-24(19-9-13-21(41-6)14-10-19)28(40)35-23(16(3)4)25(37)29(31,32)33/h7-17,22-24H,1-6H3,(H,34,39)(H,35,40)(H,36,38)/t17-,22?,23-,24-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499119
PNG
(US11014963, Example 29)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@@H](C)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H27ClF5N3O5/c1-13(2)19(21(36)26(30,31)32)34-23(38)20(15-8-10-18(40-4)11-9-15)35-22(37)14(3)33-24(39)25(28,29)16-6-5-7-17(27)12-16/h5-14,19-20H,1-4H3,(H,33,39)(H,34,38)(H,35,37)/t14-,19+,20+/m1/s1
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n/an/a 1.82n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499093
PNG
(US11014963, Example 5)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H28ClF4N3O5S/c1-15(2)23(25(38)29(32,33)34)36-28(41)24(17-7-9-19(42-3)10-8-17)37-26(39)20(14-16-5-4-6-18(31)13-16)35-27(40)21-11-12-22(30)43-21/h4-13,15,20,23-24H,14H2,1-3H3,(H,35,40)(H,36,41)(H,37,39)/t20-,23-,24-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499269
PNG
(US11014963, Example 173)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)c1cccc(c1)C(F)(F)F)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C38H42F6N4O7/c1-21(2)29(31(49)38(42,43)44)47-34(52)30(24-14-16-27(54-6)17-15-24)48-33(51)28(46-32(50)25-8-7-9-26(19-25)37(39,40)41)18-22-10-12-23(13-11-22)20-45-35(53)55-36(3,4)5/h7-17,19,21,28-30H,18,20H2,1-6H3,(H,45,53)(H,46,50)(H,47,52)(H,48,51)/t28-,29-,30-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499306
PNG
(N-[(5S)-5-[[2-(3,4-Dichlorophenyl)-2,2-difluoroace...)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](CCCCNC(=O)c1ccccn1)NC(=O)C(F)(F)c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C35H36Cl2F5N5O6/c1-19(2)27(29(48)35(40,41)42)46-32(51)28(20-10-13-22(53-3)14-11-20)47-31(50)26(9-5-7-17-44-30(49)25-8-4-6-16-43-25)45-33(52)34(38,39)21-12-15-23(36)24(37)18-21/h4,6,8,10-16,18-19,26-28H,5,7,9,17H2,1-3H3,(H,44,49)(H,45,52)(H,46,51)(H,47,50)/t26-,27-,28-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499136
PNG
(US11014963, Example 43)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)C(F)(F)c1ccccc1Cl)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H35ClF5N3O6/c1-16(2)22(24(40)30(34,35)36)38-26(42)23(17-11-13-18(44-6)14-12-17)39-25(41)21(15-45-28(3,4)5)37-27(43)29(32,33)19-9-7-8-10-20(19)31/h7-14,16,21-23H,15H2,1-6H3,(H,37,43)(H,38,42)(H,39,41)/t21-,22+,23+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499276
PNG
(US11014963, Example 181)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)C(F)(F)c1cccc(Cl)c1)c1ccc(OCC(=O)OC(C)(C)C)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C37H38ClF6N3O7/c1-20(2)29(31(49)37(42,43)44)46-33(51)30(22-12-14-26(15-13-22)53-19-28(48)54-35(3,4)5)47-32(50)27(17-21-8-6-11-25(39)16-21)45-34(52)36(40,41)23-9-7-10-24(38)18-23/h6-16,18,20,27,29-30H,17,19H2,1-5H3,(H,45,52)(H,46,51)(H,47,50)/t27-,29-,30-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499139
PNG
(US11014963, Example 46)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@@H](CCC(=O)OC(C)(C)C)NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C31H37ClF3N3O7/c1-17(2)24(26(40)31(33,34)35)37-29(43)25(18-10-12-21(44-6)13-11-18)38-28(42)22(14-15-23(39)45-30(3,4)5)36-27(41)19-8-7-9-20(32)16-19/h7-13,16-17,22,24-25H,14-15H2,1-6H3,(H,36,41)(H,37,43)(H,38,42)/t22-,24+,25+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM499189
PNG
(US11014963, Example 87)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)c1cccc(OCC(=O)NCC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C40H44F3N5O9/c1-23(2)33(35(51)40(41,42)43)47-38(54)34(26-13-15-28(55-6)16-14-26)48-37(53)30(18-24-9-7-10-25(17-24)20-44)46-36(52)27-11-8-12-29(19-27)56-22-31(49)45-21-32(50)57-39(3,4)5/h7-17,19,23,30,33-34H,18,21-22H2,1-6H3,(H,45,49)(H,46,52)(H,47,54)(H,48,53)/t30-,33-,34-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...


US Patent US11014963 (2021)

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