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Compile Data Set for Download or QSAR

Found 1210 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 1'   
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 I


(Homo sapiens (Human))
BDBM138133
PNG
(US8871783, 19)
Show SMILES O=C(N[C@@H](Cc1ccc(s1)-c1ccc2C(=O)OCc2c1)C#N)[C@H]1N[C@@H]2CC[C@H]1C2 |r|
Show InChI InChI=1/C22H21N3O3S/c23-10-16(25-21(26)20-13-1-3-15(8-13)24-20)9-17-4-6-19(29-17)12-2-5-18-14(7-12)11-28-22(18)27/h2,4-7,13,15-16,20,24H,1,3,8-9,11H2,(H,25,26)/t13-,15+,16-,20-/s2
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0.900 -51.6n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138118
PNG
(US8871783, 4)
Show SMILES CN1C(=O)C(=O)c2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C23H22N4O3S/c1-27-18-9-12(3-6-17(18)21(28)23(27)30)19-7-5-16(31-19)10-15(11-24)26-22(29)20-13-2-4-14(8-13)25-20/h3,5-7,9,13-15,20,25H,2,4,8,10H2,1H3,(H,26,29)/t13-,14+,15-,20-/s2
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2.10 -49.5n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138136
PNG
(US8871783, 22)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1cc(F)c(CC(NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C23H23FN4O2S/c1-28-18-7-13(3-2-12(18)8-21(28)29)19-10-17(24)20(31-19)9-16(11-25)27-23(30)22-14-4-5-15(6-14)26-22/h2-3,7,10,14-16,22,26H,4-6,8-9H2,1H3,(H,27,30)/t14-,15+,16?,22-/s2
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2.20 -49.4n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138137
PNG
(US8871783, 23)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C25H31N5O3S2/c1-29-10-12-30(13-11-29)35(32,33)22-7-3-17(4-8-22)23-9-6-21(34-23)15-20(16-26)28-25(31)24-18-2-5-19(14-18)27-24/h3-4,6-9,18-20,24,27H,2,5,10-15H2,1H3,(H,28,31)/t18-,19+,20-,24-/s2
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2.90 -48.7n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138117
PNG
(US8871783, 3)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C23H24N4O2S/c1-27-19-9-14(3-2-13(19)10-21(27)28)20-7-6-18(30-20)11-17(12-24)26-23(29)22-15-4-5-16(8-15)25-22/h2-3,6-7,9,15-17,22,25H,4-5,8,10-11H2,1H3,(H,26,29)/t15-,16+,17-,22-/s2
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3.20 -48.5n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138135
PNG
(US8871783, 21)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1sc(CC(NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1Br |r|
Show InChI InChI=1/C23H22BrFN4O2S/c1-29-16-7-13(3-2-11(16)8-18(29)30)22-19(24)20(25)17(32-22)9-15(10-26)28-23(31)21-12-4-5-14(6-12)27-21/h2-3,7,12,14-15,21,27H,4-6,8-9H2,1H3,(H,28,31)/t12-,14+,15?,21-/s2
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3.60 -48.2n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138139
PNG
(US8871783, 25)
Show SMILES CC1(C)OC(=O)c2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C24H25N3O3S/c1-24(2)19-10-13(4-7-18(19)23(29)30-24)20-8-6-17(31-20)11-16(12-25)27-22(28)21-14-3-5-15(9-14)26-21/h4,6-8,10,14-16,21,26H,3,5,9,11H2,1-2H3,(H,27,28)/t14-,15+,16-,21-/s2
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4 -47.9n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138131
PNG
(US8871783, 17)
Show SMILES O=C(N[C@@H](Cc1ccc(s1)-c1ccc2CC(=O)Nc2c1)C#N)[C@H]1N[C@@H]2CC[C@H]1C2 |r|
Show InChI InChI=1/C22H22N4O2S/c23-11-16(25-22(28)21-14-3-4-15(7-14)24-21)10-17-5-6-19(29-17)13-2-1-12-9-20(27)26-18(12)8-13/h1-2,5-6,8,14-16,21,24H,3-4,7,9-10H2,(H,25,28)(H,26,27)/t14-,15+,16-,21-/s2
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4.20 -47.8n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138128
PNG
(US8871783, 14)
Show SMILES CC(=O)c1ccc(s1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C20H21N3O2S2/c1-11(24)16-6-7-18(27-16)17-5-4-15(26-17)9-14(10-21)23-20(25)19-12-2-3-13(8-12)22-19/h4-7,12-14,19,22H,2-3,8-9H2,1H3,(H,23,25)/t12-,13+,14-,19-/s2
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13.4 -44.9n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138115
PNG
(US8871783, 1)
Show SMILES Fc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C21H19FN4OS/c22-18-8-12(1-2-14(18)10-23)19-6-5-17(28-19)9-16(11-24)26-21(27)20-13-3-4-15(7-13)25-20/h1-2,5-6,8,13,15-16,20,25H,3-4,7,9H2,(H,26,27)/t13-,15+,16-,20-/s2
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13.7 -44.9n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138126
PNG
(US8871783, 12)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1cnc(CC(NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C22H23N5O2S/c1-27-17-7-13(3-2-12(17)8-20(27)28)18-11-24-19(30-18)9-16(10-23)26-22(29)21-14-4-5-15(6-14)25-21/h2-3,7,11,14-16,21,25H,4-6,8-9H2,1H3,(H,26,29)/t14-,15+,16?,21-/s2
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14.9 -44.7n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138140
PNG
(US8871783, 26)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C21H23N3O3S2/c1-29(26,27)18-4-2-3-13(10-18)19-8-7-17(28-19)11-16(12-22)24-21(25)20-14-5-6-15(9-14)23-20/h2-4,7-8,10,14-16,20,23H,5-6,9,11H2,1H3,(H,24,25)/t14-,15+,16-,20-/s2
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16.7 -44.4n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138130
PNG
(US8871783, 16)
Show SMILES CCn1cc(cn1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C19H23N5OS/c1-2-24-11-13(10-21-24)17-6-5-16(26-17)8-15(9-20)23-19(25)18-12-3-4-14(7-12)22-18/h5-6,10-12,14-15,18,22H,2-4,7-8H2,1H3,(H,23,25)/t12-,14+,15-,18-/s2
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17.1 -44.3n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138116
PNG
(US8871783, 2)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C21H23N3O3S2/c1-29(26,27)18-7-3-13(4-8-18)19-9-6-17(28-19)11-16(12-22)24-21(25)20-14-2-5-15(10-14)23-20/h3-4,6-9,14-16,20,23H,2,5,10-11H2,1H3,(H,24,25)/t14-,15+,16-,20-/s2
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17.3 -44.3n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138138
PNG
(US8871783, 24)
Show SMILES CC1(C)OC(=O)c2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C24H25N3O3S/c1-24(2)19-7-4-13(10-18(19)23(29)30-24)20-8-6-17(31-20)11-16(12-25)27-22(28)21-14-3-5-15(9-14)26-21/h4,6-8,10,14-16,21,26H,3,5,9,11H2,1-2H3,(H,27,28)/t14-,15+,16-,21-/s2
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21.9 -43.7n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138132
PNG
(US8871783, 18)
Show SMILES O=C(N[C@@H](Cc1ccc(s1)-c1cnn(CC2CCOCC2)c1)C#N)[C@H]1N[C@@H]2CC[C@H]1C2 |r|
Show InChI InChI=1/C23H29N5O2S/c24-11-19(27-23(29)22-16-1-2-18(9-16)26-22)10-20-3-4-21(31-20)17-12-25-28(14-17)13-15-5-7-30-8-6-15/h3-4,12,14-16,18-19,22,26H,1-2,5-10,13H2,(H,27,29)/t16-,18+,19-,22-/s2
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27 -43.2n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138124
PNG
(US8871783, 10)
Show SMILES Brc1ccc2sc(CC(NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)C#N)cc2c1 |r|
Show InChI InChI=1/C18H18BrN3OS/c19-12-2-4-16-11(5-12)7-15(24-16)8-14(9-20)22-18(23)17-10-1-3-13(6-10)21-17/h2,4-5,7,10,13-14,17,21H,1,3,6,8H2,(H,22,23)/t10-,13+,14?,17-/s2
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35.8 -42.5n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138134
PNG
(US8871783, 20)
Show SMILES CN1CCC(CC1)c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)s1 |r|
Show InChI InChI=1/C20H28N4OS/c1-24-8-6-13(7-9-24)18-5-4-17(26-18)11-16(12-21)23-20(25)19-14-2-3-15(10-14)22-19/h4-5,13-16,19,22H,2-3,6-11H2,1H3,(H,23,25)/t14-,15+,16-,19-/s2
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37.9 -42.4n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138121
PNG
(US8871783, 7)
Show SMILES Fc1cc(ccc1C#N)-c1ccc2oc(CC(NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)C#N)cc2c1 |r|
Show InChI InChI=1/C25H21FN4O2/c26-22-10-15(1-2-17(22)12-27)14-4-6-23-18(7-14)9-21(32-23)11-20(13-28)30-25(31)24-16-3-5-19(8-16)29-24/h1-2,4,6-7,9-10,16,19-20,24,29H,3,5,8,11H2,(H,30,31)/t16-,19+,20?,24-/s2
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39.3 -42.3n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138129
PNG
(US8871783, 15)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1csc(CC(NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c1 |r|
Show InChI InChI=1/C23H24N4O2S/c1-27-20-8-13(2-3-14(20)9-21(27)28)16-7-19(30-12-16)10-18(11-24)26-23(29)22-15-4-5-17(6-15)25-22/h2-3,7-8,12,15,17-18,22,25H,4-6,9-10H2,1H3,(H,26,29)/t15-,17+,18?,22-/s2
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41.9 -42.1n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138127
PNG
(US8871783, 13)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1csc(CC(NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c1F |r|
Show InChI InChI=1/C23H23FN4O2S/c1-28-18-7-12(2-3-13(18)8-20(28)29)17-11-31-19(21(17)24)9-16(10-25)27-23(30)22-14-4-5-15(6-14)26-22/h2-3,7,11,14-16,22,26H,4-6,8-9H2,1H3,(H,27,30)/t14-,15+,16?,22-/s2
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61.7 -41.2n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138123
PNG
(US8871783, 9)
Show SMILES O=C(NC(Cc1cc2cc(ccc2o1)-c1ccccc1)C#N)[C@H]1N[C@@H]2CC[C@H]1C2 |r|
Show InChI InChI=1/C24H23N3O2/c25-14-20(27-24(28)23-17-6-8-19(11-17)26-23)13-21-12-18-10-16(7-9-22(18)29-21)15-4-2-1-3-5-15/h1-5,7,9-10,12,17,19-20,23,26H,6,8,11,13H2,(H,27,28)/t17-,19+,20?,23-/s2
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62 -41.1n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138120
PNG
(US8871783, 6)
Show SMILES Brc1ccc2oc(CC(NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)C#N)cc2c1 |r|
Show InChI InChI=1/C18H18BrN3O2/c19-12-2-4-16-11(5-12)7-15(24-16)8-14(9-20)22-18(23)17-10-1-3-13(6-10)21-17/h2,4-5,7,10,13-14,17,21H,1,3,6,8H2,(H,22,23)/t10-,13+,14?,17-/s2
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64.1 -41.1n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138125
PNG
(US8871783, 11)
Show SMILES O=C(NC(Cc1cc2cc(ccc2s1)-c1ccccc1)C#N)[C@H]1N[C@@H]2CC[C@H]1C2 |r|
Show InChI InChI=1/C24H23N3OS/c25-14-20(27-24(28)23-17-6-8-19(11-17)26-23)13-21-12-18-10-16(7-9-22(18)29-21)15-4-2-1-3-5-15/h1-5,7,9-10,12,17,19-20,23,26H,6,8,11,13H2,(H,27,28)/t17-,19+,20?,23-/s2
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72.8 -40.7n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138122
PNG
(US8871783, 8)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc2oc(CC(NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)C#N)cc2c1 |r|
Show InChI InChI=1/C27H26N4O3/c1-31-23-11-16(2-3-17(23)12-25(31)32)15-5-7-24-19(8-15)10-22(34-24)13-21(14-28)30-27(33)26-18-4-6-20(9-18)29-26/h2-3,5,7-8,10-11,18,20-21,26,29H,4,6,9,12-13H2,1H3,(H,30,33)/t18-,20+,21?,26-/s2
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104 -39.9n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM138119
PNG
(US8871783, 5)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)o1 |r|
Show InChI InChI=1/C23H24N4O3/c1-27-19-9-14(3-2-13(19)10-21(27)28)20-7-6-18(30-20)11-17(12-24)26-23(29)22-15-4-5-16(8-15)25-22/h2-3,6-7,9,15-17,22,25H,4-5,8,10-11H2,1H3,(H,26,29)/t15-,16+,17-,22-/s2
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177 -38.5n/an/an/an/an/a6.025



Boehringer Ingelheim International GmBh

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8871783 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XF1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50026017
PNG
(2-Amino-N-(benzyl-cyano-methyl)-acetamide | CHEMBL...)
Show SMILES NCC(=O)NC(Cc1ccccc1)C#N
Show InChI InChI=1S/C11H13N3O/c12-7-10(14-11(15)8-13)6-9-4-2-1-3-5-9/h1-5,10H,6,8,13H2,(H,14,15)
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for Inhibition of Dipeptidyl aminopeptidase 1


J Med Chem 29: 104-11 (1986)


BindingDB Entry DOI: 10.7270/Q2542MKC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50026018
PNG
(2-Amino-N-(1-benzyl-3-methanesulfonyl-allyl)-aceta...)
Show SMILES CS(=O)(=O)\C=C\C(Cc1ccccc1)NC(=O)CN
Show InChI InChI=1S/C13H18N2O3S/c1-19(17,18)8-7-12(15-13(16)10-14)9-11-5-3-2-4-6-11/h2-8,12H,9-10,14H2,1H3,(H,15,16)/b8-7+
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1.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for Inhibition of Dipeptidyl aminopeptidase 1


J Med Chem 29: 104-11 (1986)


BindingDB Entry DOI: 10.7270/Q2542MKC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50026015
PNG
(4-(2-Amino-acetylamino)-5-phenyl-pent-2-enoic acid...)
Show SMILES COC(=O)\C=C\C(Cc1ccccc1)NC(=O)CN
Show InChI InChI=1S/C14H18N2O3/c1-19-14(18)8-7-12(16-13(17)10-15)9-11-5-3-2-4-6-11/h2-8,12H,9-10,15H2,1H3,(H,16,17)/b8-7+
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2.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for Inhibition of Dipeptidyl aminopeptidase 1


J Med Chem 29: 104-11 (1986)


BindingDB Entry DOI: 10.7270/Q2542MKC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50026027
PNG
(2-(2-Amino-acetylamino)-3-phenyl-propionamide | CH...)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C11H15N3O2/c12-7-10(15)14-9(11(13)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H2,13,16)(H,14,15)/t9-/m0/s1
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6.20E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for Inhibition of dipeptidyl Dipeptidyl aminopeptidase 1


J Med Chem 29: 104-11 (1986)


BindingDB Entry DOI: 10.7270/Q2542MKC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM201017
PNG
(US9540373, 6 | US9879026, Example 6)
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|
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n/an/a 0.200n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent




US Patent US9879026 (2018)


BindingDB Entry DOI: 10.7270/Q2K0768M
More data for this
Ligand-Target Pair
inhibition of dppi


(Homo sapiens (Human))
BDBM201017
PNG
(US9540373, 6 | US9879026, Example 6)
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|
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n/an/a 0.200n/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 I


(Homo sapiens (Human))
BDBM50195247
PNG
(CHEMBL3936580)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1 |r|
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n/an/a 0.251n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
inhibition of dppi


(Homo sapiens (Human))
BDBM201014
PNG
(US9540373, 3 | US9879026, Example 3)
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|
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n/an/a 0.300n/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 I


(Homo sapiens (Human))
BDBM201014
PNG
(US9540373, 3 | US9879026, Example 3)
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|
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n/an/a 0.300n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent




US Patent US9879026 (2018)


BindingDB Entry DOI: 10.7270/Q2K0768M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50310682
PNG
((S)-2-amino-N-((S)-1-cyano-2-(5-phenylthiophen-2-y...)
Show SMILES N[C@@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccc(s1)-c1ccccc1)C#N |r|
Show InChI InChI=1S/C20H19N3OS2/c21-13-15(23-20(24)18(22)12-16-7-4-10-25-16)11-17-8-9-19(26-17)14-5-2-1-3-6-14/h1-10,15,18H,11-12,22H2,(H,23,24)/t15-,18-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Frosst Canada& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C


Bioorg Med Chem Lett 19: 5392-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.114
BindingDB Entry DOI: 10.7270/Q298874W
More data for this
Ligand-Target Pair
inhibition of dppi


(Homo sapiens (Human))
BDBM201015
PNG
(US9540373, 4 | US9879026, Example 4)
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|
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n/an/a 0.400n/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 I


(Homo sapiens (Human))
BDBM201015
PNG
(US9540373, 4 | US9879026, Example 4)
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|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US9879026 (2018)


BindingDB Entry DOI: 10.7270/Q2K0768M
More data for this
Ligand-Target Pair
inhibition of dppi


(Homo sapiens (Human))
BDBM201018
PNG
(US9540373, 7 | US9879026, Example 7)
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|
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n/an/a 0.5n/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM201023
PNG
(US9540373, 12 | US9879026, Example 12)
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|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US9879026 (2018)


BindingDB Entry DOI: 10.7270/Q2K0768M
More data for this
Ligand-Target Pair
inhibition of dppi


(Homo sapiens (Human))
BDBM201023
PNG
(US9540373, 12 | US9879026, Example 12)
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|
PDB

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Boehringer Ingelheim International GmbH

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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 I


(Homo sapiens (Human))
BDBM201026
PNG
(US9540373, 15 | US9879026, Example 15)
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|
PDB

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US Patent US9879026 (2018)


BindingDB Entry DOI: 10.7270/Q2K0768M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM201020
PNG
(US9540373, 9 | US9879026, Example 9)
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|
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US Patent US9879026 (2018)


BindingDB Entry DOI: 10.7270/Q2K0768M
More data for this
Ligand-Target Pair
inhibition of dppi


(Homo sapiens (Human))
BDBM201027
PNG
(US9540373, 16 | US9879026, Example 16)
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|
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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
inhibition of dppi


(Homo sapiens (Human))
BDBM201026
PNG
(US9540373, 15 | US9879026, Example 15)
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|
PDB

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Boehringer Ingelheim International GmbH

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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
inhibition of dppi


(Homo sapiens (Human))
BDBM201020
PNG
(US9540373, 9 | US9879026, Example 9)
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|
PDB

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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 I


(Homo sapiens (Human))
BDBM201018
PNG
(US9540373, 7 | US9879026, Example 7)
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|
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US Patent




US Patent US9879026 (2018)


BindingDB Entry DOI: 10.7270/Q2K0768M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM201027
PNG
(US9540373, 16 | US9879026, Example 16)
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|
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US Patent




US Patent US9879026 (2018)


BindingDB Entry DOI: 10.7270/Q2K0768M
More data for this
Ligand-Target Pair
inhibition of dppi


(Homo sapiens (Human))
BDBM201021
PNG
(US9540373, 10 | US9879026, Example 10)
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|
PDB

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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
inhibition of dppi


(Homo sapiens (Human))
BDBM201016
PNG
(US9540373, 5 | US9879026, Example 5)
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|
PDB

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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
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