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USPatent US8889708

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139528
PNG
(US8889708, 27)
Show SMILES CC1(C)OC(=O)c2ccc(cc12)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C27H28FN3O3/c1-26(2)22-12-17(5-6-21(22)24(32)34-26)18-3-4-19(23(28)13-18)11-20(14-29)31-25(33)27-9-7-16(8-10-27)15-30-27/h3-6,12-13,16,20,30H,7-11,15H2,1-2H3,(H,31,33)/t16?,20-,27?/m0/s1
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n/an/a 2.20n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139527
PNG
(US8889708, 26)
Show SMILES COCCN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C28H31FN4O3/c1-36-11-10-33-25-14-20(3-5-22(25)15-26(33)34)19-2-4-21(24(29)13-19)12-23(16-30)32-27(35)28-8-6-18(7-9-28)17-31-28/h2-5,13-14,18,23,31H,6-12,15,17H2,1H3,(H,32,35)/t18?,23-,28?/m0/s1
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n/an/a 4.30n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139532
PNG
(US8889708, 31)
Show SMILES NC(=O)c1cc(cs1)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C22H23FN4O2S/c23-18-8-14(16-9-19(20(25)28)30-12-16)1-2-15(18)7-17(10-24)27-21(29)22-5-3-13(4-6-22)11-26-22/h1-2,8-9,12-13,17,26H,3-7,11H2,(H2,25,28)(H,27,29)/t13?,17-,22?/m0/s1
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n/an/a 4.30n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139529
PNG
(US8889708, 28)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C26H27FN4O2/c1-31-23-12-18(3-5-20(23)13-24(31)32)17-2-4-19(22(27)11-17)10-21(14-28)30-25(33)26-8-6-16(7-9-26)15-29-26/h2-5,11-12,16,21,29H,6-10,13,15H2,1H3,(H,30,33)/t16?,21-,26?/m0/s1
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n/an/a 4.90n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139524
PNG
(US8889708, 23)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)C12CCC(CC1)CN2)C#N)-c1ccc2CC(=O)Nc2c1 |r|
Show InChI InChI=1S/C25H25FN4O2/c26-21-10-16(17-2-4-19-12-23(31)30-22(19)11-17)1-3-18(21)9-20(13-27)29-24(32)25-7-5-15(6-8-25)14-28-25/h1-4,10-11,15,20,28H,5-9,12,14H2,(H,29,32)(H,30,31)/t15?,20-,25?/m0/s1
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n/an/a 6.60n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139531
PNG
(US8889708, 30)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C25H29FN4O3S/c1-30(2)34(32,33)22-5-3-4-18(13-22)19-6-7-20(23(26)14-19)12-21(15-27)29-24(31)25-10-8-17(9-11-25)16-28-25/h3-7,13-14,17,21,28H,8-12,16H2,1-2H3,(H,29,31)/t17?,21-,25?/m0/s1
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n/an/a 6.70n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139523
PNG
(US8889708, 22)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)C12CCC(CC1)CN2)C#N)-c1ccc2C(=O)NCCc2c1 |r|
Show InChI InChI=1S/C26H27FN4O2/c27-23-13-18(17-3-4-22-19(11-17)7-10-29-24(22)32)1-2-20(23)12-21(14-28)31-25(33)26-8-5-16(6-9-26)15-30-26/h1-4,11,13,16,21,30H,5-10,12,15H2,(H,29,32)(H,31,33)/t16?,21-,26?/m0/s1
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n/an/a 6.80n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139503
PNG
(US8889708, 1)
Show SMILES CS(=O)(=O)c1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C25H25FN4O3S/c1-34(32,33)23-12-18(3-5-20(23)13-27)17-2-4-19(22(26)11-17)10-21(14-28)30-24(31)25-8-6-16(7-9-25)15-29-25/h2-5,11-12,16,21,29H,6-10,15H2,1H3,(H,30,31)/t16?,21-,25?/m0/s1
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n/an/a 10.9n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139525
PNG
(US8889708, 24)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C24H25FN4O2/c25-21-12-17(16-2-1-3-19(10-16)22(27)30)4-5-18(21)11-20(13-26)29-23(31)24-8-6-15(7-9-24)14-28-24/h1-5,10,12,15,20,28H,6-9,11,14H2,(H2,27,30)(H,29,31)/t15?,20-,24?/m0/s1
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n/an/a 11.2n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139519
PNG
(US8889708, 18)
Show SMILES CS(=O)(=O)c1ccc(cc1C#N)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C25H25FN4O3S/c1-34(32,33)23-5-4-17(10-20(23)13-27)18-2-3-19(22(26)12-18)11-21(14-28)30-24(31)25-8-6-16(7-9-25)15-29-25/h2-5,10,12,16,21,29H,6-9,11,15H2,1H3,(H,30,31)/t16?,21-,25?/m0/s1
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n/an/a 15n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139522
PNG
(US8889708, 21)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C24H26FN3O3S/c1-32(30,31)21-6-4-17(5-7-21)18-2-3-19(22(25)13-18)12-20(14-26)28-23(29)24-10-8-16(9-11-24)15-27-24/h2-7,13,16,20,27H,8-12,15H2,1H3,(H,28,29)/t16?,20-,24?/m0/s1
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n/an/a 17n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139504
PNG
(US8889708, 2)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)cc1 |r|
Show InChI InChI=1S/C26H28N4O2/c1-30-23-13-20(6-7-21(23)14-24(30)31)19-4-2-17(3-5-19)12-22(15-27)29-25(32)26-10-8-18(9-11-26)16-28-26/h2-7,13,18,22,28H,8-12,14,16H2,1H3,(H,29,32)/t18?,22-,26?/m0/s1
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n/an/a 17.1n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139521
PNG
(US8889708, 20)
Show SMILES CN1Cc2cc(ccc2S1(=O)=O)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C25H27FN4O3S/c1-30-15-20-10-17(4-5-23(20)34(30,32)33)18-2-3-19(22(26)12-18)11-21(13-27)29-24(31)25-8-6-16(7-9-25)14-28-25/h2-5,10,12,16,21,28H,6-9,11,14-15H2,1H3,(H,29,31)/t16?,21-,25?/m0/s1
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n/an/a 17.6n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139530
PNG
(US8889708, 29)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)C12CCC(CC1)CN2)C#N)-c1cnn(CC2CCOCC2)c1 |r|
Show InChI InChI=1S/C26H32FN5O2/c27-24-12-20(22-15-30-32(17-22)16-19-5-9-34-10-6-19)1-2-21(24)11-23(13-28)31-25(33)26-7-3-18(4-8-26)14-29-26/h1-2,12,15,17-19,23,29H,3-11,14,16H2,(H,31,33)/t18?,23-,26?/m0/s1
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n/an/a 20.2n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139505
PNG
(US8889708, 3)
Show SMILES CS(=O)(=O)c1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)cc1 |r|
Show InChI InChI=1S/C25H26N4O3S/c1-33(31,32)23-13-20(6-7-21(23)14-26)19-4-2-17(3-5-19)12-22(15-27)29-24(30)25-10-8-18(9-11-25)16-28-25/h2-7,13,18,22,28H,8-12,16H2,1H3,(H,29,30)/t18?,22-,25?/m0/s1
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n/an/a 35.7n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139520
PNG
(US8889708, 19)
Show SMILES CN1Cc2ccc(cc2C1)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C26H29FN4O/c1-31-15-21-5-3-18(10-22(21)16-31)19-2-4-20(24(27)12-19)11-23(13-28)30-25(32)26-8-6-17(7-9-26)14-29-26/h2-5,10,12,17,23,29H,6-9,11,14-16H2,1H3,(H,30,32)/t17?,23-,26?/m0/s1
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n/an/a 38.1n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139526
PNG
(US8889708, 25)
Show SMILES CN1C(=O)C(C)(C)c2ccc(cc12)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C28H31FN4O2/c1-27(2)22-7-6-19(14-24(22)33(3)26(27)35)18-4-5-20(23(29)13-18)12-21(15-30)32-25(34)28-10-8-17(9-11-28)16-31-28/h4-7,13-14,17,21,31H,8-12,16H2,1-3H3,(H,32,34)/t17?,21-,28?/m0/s1
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n/an/a 40.7n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139506
PNG
(US8889708, 4)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)cc1 |r|
Show InChI InChI=1S/C26H28N4O2/c1-30-16-21-13-20(6-7-23(21)24(30)31)19-4-2-17(3-5-19)12-22(14-27)29-25(32)26-10-8-18(9-11-26)15-28-26/h2-7,13,18,22,28H,8-12,15-16H2,1H3,(H,29,32)/t18?,22-,26?/m0/s1
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n/an/a 50.1n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139507
PNG
(US8889708, 5)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@]23C[C@H](CN2)OCC3)C#N)cc1 |r|
Show InChI InChI=1S/C25H26N4O3/c1-29-22-11-18(6-7-19(22)12-23(29)30)17-4-2-16(3-5-17)10-20(14-26)28-24(31)25-8-9-32-21(13-25)15-27-25/h2-7,11,20-21,27H,8-10,12-13,15H2,1H3,(H,28,31)/t20-,21+,25-/m0/s1
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n/an/a 50.3n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139508
PNG
(US8889708, 6)
Show SMILES CS(=O)(=O)c1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@]23C[C@H](CN2)OCC3)C#N)cc1 |r|
Show InChI InChI=1S/C24H24N4O4S/c1-33(30,31)22-11-18(6-7-19(22)13-25)17-4-2-16(3-5-17)10-20(14-26)28-23(29)24-8-9-32-21(12-24)15-27-24/h2-7,11,20-21,27H,8-10,12,15H2,1H3,(H,28,29)/t20-,21+,24-/m0/s1
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n/an/a 202n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139509
PNG
(US8889708, 7)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@]23CC[C@@H](CN2)C3)C#N)cc1 |r|
Show InChI InChI=1S/C25H26N4O2/c1-29-22-11-19(6-7-20(22)12-23(29)30)18-4-2-16(3-5-18)10-21(14-26)28-24(31)25-9-8-17(13-25)15-27-25/h2-7,11,17,21,27H,8-10,12-13,15H2,1H3,(H,28,31)/t17-,21+,25-/m1/s1
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n/an/a 204n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139510
PNG
(US8889708, 8)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@]23CC[C@H](CN2)C3)C#N)cc1 |r|
Show InChI InChI=1S/C25H26N4O2/c1-29-22-11-19(6-7-20(22)12-23(29)30)18-4-2-16(3-5-18)10-21(14-26)28-24(31)25-9-8-17(13-25)15-27-25/h2-7,11,17,21,27H,8-10,12-13,15H2,1H3,(H,28,31)/t17-,21-,25-/m0/s1
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n/an/a 221n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139511
PNG
(US8889708, 9)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)C23CCOC(CCN2)C3)C#N)cc1 |r|
Show InChI InChI=1S/C26H28N4O3/c1-30-23-13-19(6-7-20(23)14-24(30)31)18-4-2-17(3-5-18)12-21(16-27)29-25(32)26-9-11-33-22(15-26)8-10-28-26/h2-7,13,21-22,28H,8-12,14-15H2,1H3,(H,29,32)/t21-,22?,26?/m0/s1
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n/an/a 228n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139512
PNG
(US8889708, 10)
Show SMILES CS(=O)(=O)c1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@]23CC[C@H](CN2)C3)C#N)cc1 |r|
Show InChI InChI=1S/C24H24N4O3S/c1-32(30,31)22-11-19(6-7-20(22)13-25)18-4-2-16(3-5-18)10-21(14-26)28-23(29)24-9-8-17(12-24)15-27-24/h2-7,11,17,21,27H,8-10,12,15H2,1H3,(H,28,29)/t17-,21-,24-/m0/s1
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n/an/a 283n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139513
PNG
(US8889708, 11)
Show SMILES Fc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)N3)C#N)cc1 |r|
Show InChI InChI=1S/C23H21FN4O/c24-21-12-17(5-6-18(21)13-25)16-3-1-15(2-4-16)11-20(14-26)27-22(29)23-9-7-19(28-23)8-10-23/h1-6,12,19-20,28H,7-11H2,(H,27,29)/t19?,20-,23?/m0/s1
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n/an/a 284n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139514
PNG
(US8889708, 12)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@]23C[C@H](CN2)CCC3)C#N)cc1 |r|
Show InChI InChI=1S/C26H28N4O2/c1-30-23-12-20(8-9-21(23)13-24(30)31)19-6-4-17(5-7-19)11-22(15-27)29-25(32)26-10-2-3-18(14-26)16-28-26/h4-9,12,18,22,28H,2-3,10-11,13-14,16H2,1H3,(H,29,32)/t18-,22+,26-/m1/s1
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n/an/a 428n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139515
PNG
(US8889708, 13)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@]23CC[C@H](CN2)C3)C#N)cc1 |r|
Show InChI InChI=1S/C25H26N4O2/c1-29-15-20-11-19(6-7-22(20)23(29)30)18-4-2-16(3-5-18)10-21(13-26)28-24(31)25-9-8-17(12-25)14-27-25/h2-7,11,17,21,27H,8-10,12,14-15H2,1H3,(H,28,31)/t17-,21-,25-/m0/s1
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n/an/a 501n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM139524
PNG
(US8889708, 23)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)C12CCC(CC1)CN2)C#N)-c1ccc2CC(=O)Nc2c1 |r|
Show InChI InChI=1S/C25H25FN4O2/c26-21-10-16(17-2-4-19-12-23(31)30-22(19)11-17)1-3-18(21)9-20(13-27)29-24(32)25-7-5-15(6-8-25)14-28-25/h1-4,10-11,15,20,28H,5-9,12,14H2,(H,29,32)(H,30,31)/t15?,20-,25?/m0/s1
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n/an/a 600n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139516
PNG
(US8889708, 14)
Show SMILES CS(=O)(=O)c1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@]23CC[C@@H](CN2)C3)C#N)cc1 |r|
Show InChI InChI=1S/C24H24N4O3S/c1-32(30,31)22-11-19(6-7-20(22)13-25)18-4-2-16(3-5-18)10-21(14-26)28-23(29)24-9-8-17(12-24)15-27-24/h2-7,11,17,21,27H,8-10,12,15H2,1H3,(H,28,29)/t17-,21+,24-/m1/s1
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n/an/a 650n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM139532
PNG
(US8889708, 31)
Show SMILES NC(=O)c1cc(cs1)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C22H23FN4O2S/c23-18-8-14(16-9-19(20(25)28)30-12-16)1-2-15(18)7-17(10-24)27-21(29)22-5-3-13(4-6-22)11-26-22/h1-2,8-9,12-13,17,26H,3-7,11H2,(H2,25,28)(H,27,29)/t13?,17-,22?/m0/s1
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n/an/a 800n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM139522
PNG
(US8889708, 21)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C24H26FN3O3S/c1-32(30,31)21-6-4-17(5-7-21)18-2-3-19(22(25)13-18)12-20(14-26)28-23(29)24-10-8-16(9-11-24)15-27-24/h2-7,13,16,20,27H,8-12,15H2,1H3,(H,28,29)/t16?,20-,24?/m0/s1
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n/an/a 800n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM139527
PNG
(US8889708, 26)
Show SMILES COCCN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C28H31FN4O3/c1-36-11-10-33-25-14-20(3-5-22(25)15-26(33)34)19-2-4-21(24(29)13-19)12-23(16-30)32-27(35)28-8-6-18(7-9-28)17-31-28/h2-5,13-14,18,23,31H,6-12,15,17H2,1H3,(H,32,35)/t18?,23-,28?/m0/s1
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n/an/a 1.10E+3n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139517
PNG
(US8889708, 16)
Show SMILES CS(=O)(=O)c1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@]23C[C@H](CN2)CCC3)C#N)cc1 |r|
Show InChI InChI=1S/C25H26N4O3S/c1-33(31,32)23-12-20(8-9-21(23)14-26)19-6-4-17(5-7-19)11-22(15-27)29-24(30)25-10-2-3-18(13-25)16-28-25/h4-9,12,18,22,28H,2-3,10-11,13,16H2,1H3,(H,29,30)/t18-,22+,25-/m1/s1
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n/an/a 1.22E+3n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM139518
PNG
(US8889708, 17)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@]23CC[C@@H](CN2)C3)C#N)cc1 |r|
Show InChI InChI=1S/C25H26N4O2/c1-29-15-20-11-19(6-7-22(20)23(29)30)18-4-2-16(3-5-18)10-21(13-26)28-24(31)25-9-8-17(12-25)14-27-25/h2-7,11,17,21,27H,8-10,12,14-15H2,1H3,(H,28,31)/t17-,21+,25-/m1/s1
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n/an/a 1.44E+3n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM139503
PNG
(US8889708, 1)
Show SMILES CS(=O)(=O)c1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C25H25FN4O3S/c1-34(32,33)23-12-18(3-5-20(23)13-27)17-2-4-19(22(26)11-17)10-21(14-28)30-24(31)25-8-6-16(7-9-25)15-29-25/h2-5,11-12,16,21,29H,6-10,15H2,1H3,(H,30,31)/t16?,21-,25?/m0/s1
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n/an/a 1.70E+3n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM139528
PNG
(US8889708, 27)
Show SMILES CC1(C)OC(=O)c2ccc(cc12)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C27H28FN3O3/c1-26(2)22-12-17(5-6-21(22)24(32)34-26)18-3-4-19(23(28)13-18)11-20(14-29)31-25(33)27-9-7-16(8-10-27)15-30-27/h3-6,12-13,16,20,30H,7-11,15H2,1-2H3,(H,31,33)/t16?,20-,27?/m0/s1
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n/an/a 1.70E+3n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM139529
PNG
(US8889708, 28)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C26H27FN4O2/c1-31-23-12-18(3-5-20(23)13-24(31)32)17-2-4-19(22(27)11-17)10-21(14-28)30-25(33)26-8-6-16(7-9-26)15-29-26/h2-5,11-12,16,21,29H,6-10,13,15H2,1H3,(H,30,33)/t16?,21-,26?/m0/s1
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n/an/a 2.20E+3n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM139523
PNG
(US8889708, 22)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)C12CCC(CC1)CN2)C#N)-c1ccc2C(=O)NCCc2c1 |r|
Show InChI InChI=1S/C26H27FN4O2/c27-23-13-18(17-3-4-22-19(11-17)7-10-29-24(22)32)1-2-20(23)12-21(14-28)31-25(33)26-8-5-16(6-9-26)15-30-26/h1-4,11,13,16,21,30H,5-10,12,15H2,(H,29,32)(H,31,33)/t16?,21-,26?/m0/s1
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n/an/a 2.30E+3n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM139505
PNG
(US8889708, 3)
Show SMILES CS(=O)(=O)c1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)cc1 |r|
Show InChI InChI=1S/C25H26N4O3S/c1-33(31,32)23-13-20(6-7-21(23)14-26)19-4-2-17(3-5-19)12-22(15-27)29-24(30)25-10-8-18(9-11-25)16-28-25/h2-7,13,18,22,28H,8-12,16H2,1H3,(H,29,30)/t18?,22-,25?/m0/s1
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n/an/a 5.00E+3n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM139506
PNG
(US8889708, 4)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)cc1 |r|
Show InChI InChI=1S/C26H28N4O2/c1-30-16-21-13-20(6-7-23(21)24(30)31)19-4-2-17(3-5-19)12-22(14-27)29-25(32)26-10-8-18(9-11-26)15-28-26/h2-7,13,18,22,28H,8-12,15-16H2,1H3,(H,29,32)/t18?,22-,26?/m0/s1
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n/an/a 6.30E+3n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM139504
PNG
(US8889708, 2)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)C23CCC(CC2)CN3)C#N)cc1 |r|
Show InChI InChI=1S/C26H28N4O2/c1-30-23-13-20(6-7-21(23)14-24(30)31)19-4-2-17(3-5-19)12-22(15-27)29-25(32)26-10-8-18(9-11-26)16-28-26/h2-7,13,18,22,28H,8-12,14,16H2,1H3,(H,29,32)/t18?,22-,26?/m0/s1
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n/an/a 6.70E+3n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM139507
PNG
(US8889708, 5)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@]23C[C@H](CN2)OCC3)C#N)cc1 |r|
Show InChI InChI=1S/C25H26N4O3/c1-29-22-11-18(6-7-19(22)12-23(29)30)17-4-2-16(3-5-17)10-20(14-26)28-24(31)25-8-9-32-21(13-25)15-27-25/h2-7,11,20-21,27H,8-10,12-13,15H2,1H3,(H,28,31)/t20-,21+,25-/m0/s1
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Similars
US Patent
n/an/a>3.00E+4n/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 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...

US Patent US8889708 (2014)


BindingDB Entry DOI: 10.7270/Q2JM28BB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%