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Patent code US11001555

Compile Data Set for Download or QSAR
Found 22 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))
BDBM496984
PNG
(US11001555, Example 7)
Show SMILES COC[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)S(=O)(=O)Cc1ccc(OC)cc1
Show InChI InChI=1S/C34H38ClF7N4O9S/c1-18(2)26(27(47)34(41,42)30(50)43-17-32(36,37)38)45-28(48)25-13-23(56(52,53)16-19-8-10-22(55-4)11-9-19)14-46(25)29(49)24(15-54-3)44-31(51)33(39,40)20-6-5-7-21(35)12-20/h5-12,18,23-26H,13-17H2,1-4H3,(H,43,50)(H,44,51)(H,45,48)/t23-,24+,25+,26+/m1/s1
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n/an/a 0.262n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496983
PNG
(US11001555, Example 6)
Show SMILES COC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)S(=O)(=O)Cc1ccc(OC)cc1
Show InChI InChI=1S/C33H38ClF5N4O9S/c1-18(2)26(27(44)33(38,39)31(48)40-17-32(35,36)37)42-29(46)25-13-23(53(49,50)16-19-8-10-22(52-4)11-9-19)14-43(25)30(47)24(15-51-3)41-28(45)20-6-5-7-21(34)12-20/h5-12,18,23-26H,13-17H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)/t23-,24+,25+,26+/m1/s1
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n/an/a 0.351n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496981
PNG
(US11001555, Example 4)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](C)NC(=O)C(F)(F)c2cccc(F)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C33H36F8N4O8S/c1-17(2)25(26(46)33(40,41)29(49)42-16-31(35,36)37)44-27(47)24-13-23(54(51,52)15-19-8-10-22(53-4)11-9-19)14-45(24)28(48)18(3)43-30(50)32(38,39)20-6-5-7-21(34)12-20/h5-12,17-18,23-25H,13-16H2,1-4H3,(H,42,49)(H,43,50)(H,44,47)/t18-,23+,24-,25-/m0/s1
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n/an/a 0.471n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496990
PNG
(US11001555, Example 13)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2cccc(F)c2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C42H49ClF3N5O9S/c1-26(2)36(37(52)42(45,46)41(56)47-14-15-50-16-18-60-19-17-50)49-39(54)35-23-33(61(57,58)25-27-10-12-32(59-3)13-11-27)24-51(35)40(55)34(21-28-6-4-9-31(44)20-28)48-38(53)29-7-5-8-30(43)22-29/h4-13,20,22,26,33-36H,14-19,21,23-25H2,1-3H3,(H,47,56)(H,48,53)(H,49,54)/t33-,34+,35+,36+/m1/s1
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n/an/a 0.538n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496997
PNG
(N-[(2S)-3-(3,4-Dichlorophenyl)-1-[(2S,4R)-2-[[(3S)...)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)c2ccccn2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C37H38Cl2F5N5O8S/c1-20(2)30(31(50)37(43,44)35(54)46-19-36(40,41)42)48-33(52)29-16-24(58(55,56)18-21-7-10-23(57-3)11-8-21)17-49(29)34(53)28(15-22-9-12-25(38)26(39)14-22)47-32(51)27-6-4-5-13-45-27/h4-14,20,24,28-30H,15-19H2,1-3H3,(H,46,54)(H,47,51)(H,48,52)/t24-,28+,29+,30+/m1/s1
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n/an/a 0.574n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496982
PNG
(US11001555, Example 5)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](COC(C)(C)C)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C37H44ClF7N4O9S/c1-20(2)28(29(50)37(44,45)32(53)46-19-35(39,40)41)48-30(51)27-15-25(59(55,56)18-21-10-12-24(57-6)13-11-21)16-49(27)31(52)26(17-58-34(3,4)5)47-33(54)36(42,43)22-8-7-9-23(38)14-22/h7-14,20,25-28H,15-19H2,1-6H3,(H,46,53)(H,47,54)(H,48,51)/t25-,26+,27+,28+/m1/s1
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n/an/a 0.579n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496994
PNG
(US11001555, Example 17)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccccn1)S(=O)(=O)Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C36H37ClF5N5O7S/c1-21(2)29(30(48)36(41,42)34(52)44-20-35(38,39)40)46-32(50)28-17-25(55(53,54)19-22-9-4-3-5-10-22)18-47(28)33(51)27(16-23-11-8-12-24(37)15-23)45-31(49)26-13-6-7-14-43-26/h3-15,21,25,27-29H,16-20H2,1-2H3,(H,44,52)(H,45,49)(H,46,50)/t25-,27+,28+,29+/m1/s1
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n/an/a 0.667n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496988
PNG
(US11001555, Example 11)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@@H](Cc2cccc(Cl)c2)Oc2cc(Cl)cc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C37H37Cl3F5N3O8S/c1-20(2)31(32(49)37(44,45)35(52)46-19-36(41,42)43)47-33(50)29-16-28(57(53,54)18-21-7-9-26(55-3)10-8-21)17-48(29)34(51)30(12-22-5-4-6-23(38)11-22)56-27-14-24(39)13-25(40)15-27/h4-11,13-15,20,28-31H,12,16-19H2,1-3H3,(H,46,52)(H,47,50)/t28-,29+,30-,31+/m1/s1
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n/an/a 0.694n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496986
PNG
(US11001555, Example 9)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2cccc(C)c2)NC(=O)c2ccccn2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C38H42F5N5O8S/c1-22(2)31(32(49)38(42,43)36(53)45-21-37(39,40)41)47-34(51)30-18-27(57(54,55)20-24-11-13-26(56-4)14-12-24)19-48(30)35(52)29(17-25-9-7-8-23(3)16-25)46-33(50)28-10-5-6-15-44-28/h5-16,22,27,29-31H,17-21H2,1-4H3,(H,45,53)(H,46,50)(H,47,51)/t27-,29+,30+,31+/m1/s1
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n/an/a 0.781n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496993
PNG
(US11001555, Example 16)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)c2ccccn2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C37H38Cl2F5N5O8S/c1-20(2)30(31(50)37(43,44)35(54)46-19-36(40,41)42)48-33(52)29-16-24(58(55,56)18-21-7-10-23(57-3)11-8-21)17-49(29)34(53)28(15-22-9-12-25(38)26(39)14-22)47-32(51)27-6-4-5-13-45-27/h4-14,20,24,28-30H,15-19H2,1-3H3,(H,46,54)(H,47,51)(H,48,52)/t24-,28+,29+,30+/m1/s1
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n/an/a 0.804n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496811
PNG
(US11001555, Example 2)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](C)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C33H36ClF7N4O8S/c1-17(2)25(26(46)33(40,41)29(49)42-16-31(35,36)37)44-27(47)24-13-23(54(51,52)15-19-8-10-22(53-4)11-9-19)14-45(24)28(48)18(3)43-30(50)32(38,39)20-6-5-7-21(34)12-20/h5-12,17-18,23-25H,13-16H2,1-4H3,(H,42,49)(H,43,50)(H,44,47)/t18-,23+,24-,25-/m0/s1
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n/an/a 0.838n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496991
PNG
(US11001555, Example 14)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2cccc(F)c2)NC(=O)C2(CCCC2)c2ccccc2F)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C47H57F4N5O9S/c1-30(2)40(41(57)47(50,51)45(61)52-19-20-55-21-23-65-24-22-55)54-42(58)39-27-35(66(62,63)29-31-13-15-34(64-3)16-14-31)28-56(39)43(59)38(26-32-9-8-10-33(48)25-32)53-44(60)46(17-6-7-18-46)36-11-4-5-12-37(36)49/h4-5,8-16,25,30,35,38-40H,6-7,17-24,26-29H2,1-3H3,(H,52,61)(H,53,60)(H,54,58)/t35-,38+,39+,40+/m1/s1
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n/an/a 0.871n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496999
PNG
(US11001555, Example 19)
Show SMILES COc1ccc(CS[C@@H]2C[C@H](N(C2)C(=O)[C@@H](Cc2cccc(Cl)c2)Oc2cc(Cl)cc(Cl)c2)C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C37H37Cl3F5N3O6S/c1-20(2)31(32(49)37(44,45)35(52)46-19-36(41,42)43)47-33(50)29-16-28(55-18-21-7-9-26(53-3)10-8-21)17-48(29)34(51)30(12-22-5-4-6-23(38)11-22)54-27-14-24(39)13-25(40)15-27/h4-11,13-15,20,28-31H,12,16-19H2,1-3H3,(H,46,52)(H,47,50)/t28-,29+,30-,31-/m1/s1
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n/an/a 0.876n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496998
PNG
(N-[(2S)-3-(3-chlorophenyl)-1-[(2S,4R)-2-[[(3S)-5,5...)
Show SMILES COc1ccc(CO[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2ccccn2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C37H39ClF5N5O7/c1-21(2)30(31(49)37(42,43)35(53)45-20-36(39,40)41)47-33(51)29-17-26(55-19-22-10-12-25(54-3)13-11-22)18-48(29)34(52)28(16-23-7-6-8-24(38)15-23)46-32(50)27-9-4-5-14-44-27/h4-15,21,26,28-30H,16-20H2,1-3H3,(H,45,53)(H,46,50)(H,47,51)/t26-,28+,29+,30+/m1/s1
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n/an/a 0.889n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496989
PNG
(US11001555, Example 12)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@@H](Cc2cccc(Cl)c2)Oc2cncc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C36H37Cl2F5N4O8S/c1-20(2)30(31(48)36(42,43)34(51)45-19-35(39,40)41)46-32(49)28-14-27(56(52,53)18-21-7-9-25(54-3)10-8-21)17-47(28)33(50)29(12-22-5-4-6-23(37)11-22)55-26-13-24(38)15-44-16-26/h4-11,13,15-16,20,27-30H,12,14,17-19H2,1-3H3,(H,45,51)(H,46,49)/t27-,28+,29-,30+/m1/s1
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n/an/a 0.897n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496995
PNG
(US11001555, Example 18)
Show SMILES COc1ccc(CS[C@@H]2C[C@H](N(C2)C(=O)[C@@H](Cc2cccc(Cl)c2)Oc2cc(Cl)cc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C37H37Cl3F5N3O6S/c1-20(2)31(32(49)37(44,45)35(52)46-19-36(41,42)43)47-33(50)29-16-28(55-18-21-7-9-26(53-3)10-8-21)17-48(29)34(51)30(12-22-5-4-6-23(38)11-22)54-27-14-24(39)13-25(40)15-27/h4-11,13-15,20,28-31H,12,16-19H2,1-3H3,(H,46,52)(H,47,50)/t28-,29+,30-,31+/m1/s1
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n/an/a 0.933n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496996
PNG
((2S,4R)-1-[(2S)-2-[[2-(3-Chlorophenyl)-2,2-difluor...)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](CO)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C33H36ClF7N4O9S/c1-17(2)25(26(47)33(40,41)29(50)42-16-31(35,36)37)44-27(48)24-12-22(55(52,53)15-18-7-9-21(54-3)10-8-18)13-45(24)28(49)23(14-46)43-30(51)32(38,39)19-5-4-6-20(34)11-19/h4-11,17,22-25,46H,12-16H2,1-3H3,(H,42,50)(H,43,51)(H,44,48)/t22-,23+,24+,25+/m1/s1
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n/an/a 1.06n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496992
PNG
(US11001555, Example 15)
Show SMILES COc1ccc(CS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)c2ccccn2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C37H38Cl2F5N5O6S/c1-20(2)30(31(50)37(43,44)35(54)46-19-36(40,41)42)48-33(52)29-16-24(56-18-21-7-10-23(55-3)11-8-21)17-49(29)34(53)28(15-22-9-12-25(38)26(39)14-22)47-32(51)27-6-4-5-13-45-27/h4-14,20,24,28-30H,15-19H2,1-3H3,(H,46,54)(H,47,51)(H,48,52)/t24-,28+,29+,30+/m1/s1
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n/an/a 1.14n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM489754
PNG
((2S,4R)-1-[(2S)-2-[(3-Chlorobenzoyl)amino]propanoy...)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C32H36ClF5N4O8S/c1-17(2)25(26(43)32(37,38)30(47)39-16-31(34,35)36)41-28(45)24-13-23(51(48,49)15-19-8-10-22(50-4)11-9-19)14-42(24)29(46)18(3)40-27(44)20-6-5-7-21(33)12-20/h5-12,17-18,23-25H,13-16H2,1-4H3,(H,39,47)(H,40,44)(H,41,45)/t18-,23+,24-,25-/m0/s1
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n/an/a 1.25n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496987
PNG
(US11001555, Example 10)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2cccc(c2)C#N)NC(=O)c2ccc(Cl)cn2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C38H38ClF5N6O8S/c1-21(2)31(32(51)38(43,44)36(55)47-20-37(40,41)42)49-34(53)30-15-27(59(56,57)19-22-7-10-26(58-3)11-8-22)18-50(30)35(54)29(14-23-5-4-6-24(13-23)16-45)48-33(52)28-12-9-25(39)17-46-28/h4-13,17,21,27,29-31H,14-15,18-20H2,1-3H3,(H,47,55)(H,48,52)(H,49,53)/t27-,29+,30+,31+/m1/s1
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n/an/a 1.31n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496985
PNG
(US11001555, Example 8)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2cccc(c2)C#N)NC(=O)c2ccccn2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C38H39F5N6O8S/c1-22(2)31(32(50)38(42,43)36(54)46-21-37(39,40)41)48-34(52)30-17-27(58(55,56)20-23-10-12-26(57-3)13-11-23)19-49(30)35(53)29(16-24-7-6-8-25(15-24)18-44)47-33(51)28-9-4-5-14-45-28/h4-15,22,27,29-31H,16-17,19-21H2,1-3H3,(H,46,54)(H,47,51)(H,48,52)/t27-,29+,30+,31+/m1/s1
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n/an/a 1.33n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair
Serine protease HTRA1


(Homo sapiens (Human))
BDBM496980
PNG
(US11001555, Example 3)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](C)NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C33H35Cl2F7N4O8S/c1-16(2)25(26(47)33(41,42)29(50)43-15-31(36,37)38)45-27(48)24-12-21(55(52,53)14-18-5-8-20(54-4)9-6-18)13-46(24)28(49)17(3)44-30(51)32(39,40)22-11-19(34)7-10-23(22)35/h5-11,16-17,21,24-25H,12-15H2,1-4H3,(H,43,50)(H,44,51)(H,45,48)/t17-,21+,24-,25-/m0/s1
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n/an/a 2.08n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

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