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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 173   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201017
PNG
(US9540373, 6 | US9879026, Example 6 | USRE47636, E...)
Show SMILES CN1CCC2(CC1)C(=O)Nc1ccc(cc21)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C29H32FN5O2/c1-35-10-8-29(9-11-35)23-14-17(5-7-25(23)34-28(29)37)18-2-3-19(24(30)15-18)12-22(16-31)33-27(36)26-20-4-6-21(13-20)32-26/h2-3,5,7,14-15,20-22,26,32H,4,6,8-13H2,1H3,(H,33,36)(H,34,37)/t20-,21+,22-,26-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201014
PNG
(US9540373, 3 | US9879026, Example 3 | USRE47636, E...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2NC(=O)C3(CCNCC3)c2c1 |r|
Show InChI InChI=1S/C28H30FN5O2/c29-23-14-17(16-4-6-24-22(13-16)28(27(36)34-24)7-9-31-10-8-28)1-2-18(23)11-21(15-30)33-26(35)25-19-3-5-20(12-19)32-25/h1-2,4,6,13-14,19-21,25,31-32H,3,5,7-12H2,(H,33,35)(H,34,36)/t19-,20+,21-,25-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201015
PNG
(US9540373, 4 | US9879026, Example 4 | USRE47636, E...)
Show SMILES CN1C(=O)C2(CCNCC2)c2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C29H32FN5O2/c1-35-25-7-5-17(14-23(25)29(28(35)37)8-10-32-11-9-29)18-2-3-19(24(30)15-18)12-22(16-31)34-27(36)26-20-4-6-21(13-20)33-26/h2-3,5,7,14-15,20-22,26,32-33H,4,6,8-13H2,1H3,(H,34,36)/t20-,21+,22-,26-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201027
PNG
(US9540373, 16 | US9879026, Example 16 | USRE47636,...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2NC(=O)C3(CCNC3)c2c1 |r|
Show InChI InChI=1S/C27H28FN5O2/c28-22-12-16(15-4-6-23-21(11-15)27(26(35)33-23)7-8-30-14-27)1-2-17(22)9-20(13-29)32-25(34)24-18-3-5-19(10-18)31-24/h1-2,4,6,11-12,18-20,24,30-31H,3,5,7-10,14H2,(H,32,34)(H,33,35)/t18-,19+,20-,24-,27?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201026
PNG
(US9540373, 15 | US9879026, Example 15 | USRE47636,...)
Show SMILES CN1CCC2(CCc3ccc(cc23)-c2ccc(C[C@H](NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)C#N)c(F)c2)CC1 |r|
Show InChI InChI=1S/C30H35FN4O/c1-35-12-10-30(11-13-35)9-8-19-2-3-20(16-26(19)30)21-4-5-22(27(31)17-21)14-25(18-32)34-29(36)28-23-6-7-24(15-23)33-28/h2-5,16-17,23-25,28,33H,6-15H2,1H3,(H,34,36)/t23-,24+,25-,28-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201023
PNG
(US9540373, 12 | US9879026, Example 12 | USRE47636,...)
Show SMILES CN1CC2(C1)OC(=O)c1ccc(cc21)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C27H27FN4O3/c1-32-13-27(14-32)22-10-15(5-7-21(22)26(34)35-27)16-2-3-17(23(28)11-16)8-20(12-29)31-25(33)24-18-4-6-19(9-18)30-24/h2-3,5,7,10-11,18-20,24,30H,4,6,8-9,13-14H2,1H3,(H,31,33)/t18-,19+,20-,24-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201020
PNG
(US9540373, 9 | US9879026, Example 9 | USRE47636, E...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2C(=O)OC3(CCNC3)c2c1 |r|
Show InChI InChI=1S/C27H27FN4O3/c28-23-12-16(15-4-6-21-22(11-15)27(35-26(21)34)7-8-30-14-27)1-2-17(23)9-20(13-29)32-25(33)24-18-3-5-19(10-18)31-24/h1-2,4,6,11-12,18-20,24,30-31H,3,5,7-10,14H2,(H,32,33)/t18-,19+,20-,24-,27?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201018
PNG
(US9540373, 7 | US9879026, Example 7 | USRE47636, E...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2C(=O)OC3(CCNCC3)c2c1 |r|
Show InChI InChI=1S/C28H29FN4O3/c29-24-14-17(16-4-6-22-23(13-16)28(36-27(22)35)7-9-31-10-8-28)1-2-18(24)11-21(15-30)33-26(34)25-19-3-5-20(12-19)32-25/h1-2,4,6,13-14,19-21,25,31-32H,3,5,7-12H2,(H,33,34)/t19-,20+,21-,25-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201024
PNG
(US9540373, 13 | US9879026, Example 13 | USRE47636,...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2COC3(CCNCC3)c2c1 |r|
Show InChI InChI=1S/C28H31FN4O2/c29-25-14-18(17-2-4-21-16-35-28(24(21)13-17)7-9-31-10-8-28)1-3-19(25)11-23(15-30)33-27(34)26-20-5-6-22(12-20)32-26/h1-4,13-14,20,22-23,26,31-32H,5-12,16H2,(H,33,34)/t20-,22+,23-,26-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201016
PNG
(US9540373, 5 | US9879026, Example 5 | USRE47636, E...)
Show SMILES CN1C(=O)C2(CCN(C)CC2)c2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C30H34FN5O2/c1-35-11-9-30(10-12-35)24-15-18(6-8-26(24)36(2)29(30)38)19-3-4-20(25(31)16-19)13-23(17-32)34-28(37)27-21-5-7-22(14-21)33-27/h3-4,6,8,15-16,21-23,27,33H,5,7,9-14H2,1-2H3,(H,34,37)/t21-,22+,23-,27-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201013
PNG
(US9540373, 2 | US9879026, Example 2 | USRE47636, E...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2CCC3(CCNCC3)c2c1 |r|
Show InChI InChI=1S/C29H33FN4O/c30-26-16-20(19-2-1-18-7-8-29(25(18)15-19)9-11-32-12-10-29)3-4-21(26)13-24(17-31)34-28(35)27-22-5-6-23(14-22)33-27/h1-4,15-16,22-24,27,32-33H,5-14H2,(H,34,35)/t22-,23+,24-,27-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201021
PNG
(US9540373, 10 | US9879026, Example 10 | USRE47636,...)
Show SMILES CN1CCC2(C1)OC(=O)c1ccc(cc21)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C28H29FN4O3/c1-33-9-8-28(15-33)23-12-16(5-7-22(23)27(35)36-28)17-2-3-18(24(29)13-17)10-21(14-30)32-26(34)25-19-4-6-20(11-19)31-25/h2-3,5,7,12-13,19-21,25,31H,4,6,8-11,15H2,1H3,(H,32,34)/t19-,20+,21-,25-,28?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201019
PNG
(US9540373, 8 | US9879026, Example 8 | USRE47636, E...)
Show SMILES CN1CCC2(CC1)OC(=O)c1ccc(cc21)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C29H31FN4O3/c1-34-10-8-29(9-11-34)24-14-17(5-7-23(24)28(36)37-29)18-2-3-19(25(30)15-18)12-22(16-31)33-27(35)26-20-4-6-21(13-20)32-26/h2-3,5,7,14-15,20-22,26,32H,4,6,8-13H2,1H3,(H,33,35)/t20-,21+,22-,26-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201022
PNG
(US9540373, 11 | US9879026, Example 11 | USRE47636,...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2C(=O)OC3(CNC3)c2c1 |r|
Show InChI InChI=1S/C26H25FN4O3/c27-22-10-15(14-4-6-20-21(9-14)26(12-29-13-26)34-25(20)33)1-2-16(22)7-19(11-28)31-24(32)23-17-3-5-18(8-17)30-23/h1-2,4,6,9-10,17-19,23,29-30H,3,5,7-8,12-13H2,(H,31,32)/t17-,18+,19-,23-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201030
PNG
(US9540373, 19 | US9879026, Example 19 | USRE47636,...)
Show SMILES CN1CCC2(CC1)OC(=O)c1cnc(cc21)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C28H30FN5O3/c1-34-8-6-28(7-9-34)22-13-24(31-15-21(22)27(36)37-28)17-3-2-16(23(29)12-17)10-20(14-30)33-26(35)25-18-4-5-19(11-18)32-25/h2-3,12-13,15,18-20,25,32H,4-11H2,1H3,(H,33,35)/t18-,19+,20-,25-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201025
PNG
(US9540373, 14 | US9879026, Example 14 | USRE47636,...)
Show SMILES CN1CCC2(CC1)OCc1ccc(cc21)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C29H33FN4O2/c1-34-10-8-29(9-11-34)25-14-18(3-5-22(25)17-36-29)19-2-4-20(26(30)15-19)12-24(16-31)33-28(35)27-21-6-7-23(13-21)32-27/h2-5,14-15,21,23-24,27,32H,6-13,17H2,1H3,(H,33,35)/t21-,23+,24-,27-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201012
PNG
(US9540373, 1 | US9879026, Example 1 | USRE47636, E...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2COC3(CCN(CC3)C3COC3)c2c1 |r|
Show InChI InChI=1S/C31H35FN4O3/c32-28-14-20(1-3-21(28)11-25(15-33)35-30(37)29-22-5-6-24(12-22)34-29)19-2-4-23-16-39-31(27(23)13-19)7-9-36(10-8-31)26-17-38-18-26/h1-4,13-14,22,24-26,29,34H,5-12,16-18H2,(H,35,37)/t22-,24+,25-,29-/m0/s1
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n/an/a 1.10n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201032
PNG
(US9540373, 21 | US9879026, Example 21 | USRE47636,...)
Show SMILES CN1CCC2(CC1)OC(=O)c1ncc(cc21)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C28H30FN5O3/c1-34-8-6-28(7-9-34)22-12-19(15-31-25(22)27(36)37-28)16-2-3-17(23(29)13-16)10-21(14-30)33-26(35)24-18-4-5-20(11-18)32-24/h2-3,12-13,15,18,20-21,24,32H,4-11H2,1H3,(H,33,35)/t18-,20+,21-,24-/m0/s1
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n/an/a 1.40n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201031
PNG
(US9540373, 20 | US9879026, Example 20 | USRE47636,...)
Show SMILES CN1CCC2(C1)OC(=O)c1cnc(cc21)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C27H28FN5O3/c1-33-7-6-27(14-33)21-11-23(30-13-20(21)26(35)36-27)16-3-2-15(22(28)10-16)8-19(12-29)32-25(34)24-17-4-5-18(9-17)31-24/h2-3,10-11,13,17-19,24,31H,4-9,14H2,1H3,(H,32,34)/t17-,18+,19-,24-,27?/m0/s1
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n/an/a 1.60n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201029
PNG
(US9540373, 18 | US9879026, Example 18 | USRE47636,...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1cc2c(cn1)C(=O)OC21CCNCC1 |r|
Show InChI InChI=1S/C27H28FN5O3/c28-22-11-16(23-12-21-20(14-31-23)26(35)36-27(21)5-7-30-8-6-27)2-1-15(22)9-19(13-29)33-25(34)24-17-3-4-18(10-17)32-24/h1-2,11-12,14,17-19,24,30,32H,3-10H2,(H,33,34)/t17-,18+,19-,24-/m0/s1
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n/an/a 1.60n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201028
PNG
(US9540373, 17 | US9879026, Example 17 | USRE47636,...)
Show SMILES CN1C(=O)C2(CCCN(C)C2)c2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C30H34FN5O2/c1-35-11-3-10-30(17-35)24-14-18(7-9-26(24)36(2)29(30)38)19-4-5-20(25(31)15-19)12-23(16-32)34-28(37)27-21-6-8-22(13-21)33-27/h4-5,7,9,14-15,21-23,27,33H,3,6,8,10-13,17H2,1-2H3,(H,34,37)/t21-,22+,23-,27-,30?/m0/s1
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n/an/a 1.60n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201037
PNG
(US9540373, 25 | US9879026, Example 25 | USRE47636,...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2COC3(CCN(CC3)C3COC3)c2n1 |r|
Show InChI InChI=1S/C30H34FN5O3/c31-25-13-19(2-1-18(25)11-23(14-32)34-29(37)27-20-3-5-22(12-20)33-27)26-6-4-21-15-39-30(28(21)35-26)7-9-36(10-8-30)24-16-38-17-24/h1-2,4,6,13,20,22-24,27,33H,3,5,7-12,15-17H2,(H,34,37)/t20-,22+,23-,27-/m0/s1
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n/an/a 1.80n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201549
PNG
(US9540373, 26 | US9879026, Example 26 | USRE47636,...)
Show SMILES CN1CCC2(CC1)OCc1cnc(cc21)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C28H32FN5O2/c1-34-8-6-28(7-9-34)23-13-25(31-15-20(23)16-36-28)18-3-2-17(24(29)12-18)10-22(14-30)33-27(35)26-19-4-5-21(11-19)32-26/h2-3,12-13,15,19,21-22,26,32H,4-11,16H2,1H3,(H,33,35)/t19-,21+,22-,26-/m0/s1
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n/an/a 2n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201036
PNG
(US9540373, 24 | US9879026, Example 24 | USRE47636,...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc2C(=O)OC3(CCN(CC3)C3COC3)c2n1 |r|
Show InChI InChI=1S/C30H32FN5O4/c31-24-13-18(2-1-17(24)11-21(14-32)34-28(37)26-19-3-4-20(12-19)33-26)25-6-5-23-27(35-25)30(40-29(23)38)7-9-36(10-8-30)22-15-39-16-22/h1-2,5-6,13,19-22,26,33H,3-4,7-12,15-16H2,(H,34,37)/t19-,20+,21-,26-/m0/s1
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n/an/a 2.70n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201550
PNG
(US9540373, 27 | US9879026, Example 27 | USRE47636,...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)C12CCC(CC1)CN2)C#N)-c1ccc2COC3(CCN(CC3)C3COC3)c2c1 |r,wD:8.9,(-2.66,-2.7,;-1.33,-1.93,;0,-2.7,;1.34,-1.93,;1.34,-.39,;0,.38,;-1.33,-.39,;-2.66,.38,;-2.66,1.92,;-4,2.69,;-5.33,1.92,;-5.33,.38,;-6.66,2.69,;-6.66,4.24,;-8,5.01,;-9.33,4.24,;-8.24,3.23,;-7.67,3.82,;-9.33,2.7,;-8,1.93,;-1.33,2.69,;0,3.46,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.34,-4.24,;6.8,-4.71,;7.71,-3.47,;6.8,-2.22,;5.71,-1.13,;6.11,.36,;7.6,.76,;8.69,-.33,;8.29,-1.82,;8,2.24,;9.33,3.01,;8.56,4.35,;7.23,3.58,;5.34,-2.7,;4,-1.93,)|
Show InChI InChI=1S/C32H37FN4O3/c33-29-15-23(1-3-24(29)13-26(16-34)36-30(38)31-7-5-21(6-8-31)17-35-31)22-2-4-25-18-40-32(28(25)14-22)9-11-37(12-10-32)27-19-39-20-27/h1-4,14-15,21,26-27,35H,5-13,17-20H2,(H,36,38)/t21?,26-,31?/m0/s1
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n/an/a 2.90n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201033
PNG
(US9540373, 22 | US9879026, Example 22 | USRE47636,...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1cc2c(cn1)C(=O)OC21CCN(CC1)C1COC1 |r|
Show InChI InChI=1S/C30H32FN5O4/c31-25-11-18(2-1-17(25)9-21(13-32)35-28(37)27-19-3-4-20(10-19)34-27)26-12-24-23(14-33-26)29(38)40-30(24)5-7-36(8-6-30)22-15-39-16-22/h1-2,11-12,14,19-22,27,34H,3-10,15-16H2,(H,35,37)/t19-,20+,21-,27-/m0/s1
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n/an/a 4.80n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201034
PNG
(US9540373, 23 | US9879026, Example 23 | USRE47636,...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1cc2c(COC22CCN(CC2)C2COC2)cn1 |r|
Show InChI InChI=1S/C30H34FN5O3/c31-26-11-19(2-1-18(26)9-23(13-32)35-29(37)28-20-3-4-22(10-20)34-28)27-12-25-21(14-33-27)15-39-30(25)5-7-36(8-6-30)24-16-38-17-24/h1-2,11-12,14,20,22-24,28,34H,3-10,15-17H2,(H,35,37)/t20-,22+,23-,28-/m0/s1
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n/an/a 5n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair