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Patent code US9321791

Compile Data Set for Download or QSAR
Found 46 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 4 (DPP4)


(Homo sapiens (human))
BDBM50228394
PNG
((R)-2-(2-(2-(8-(3-aminopiperidin-1-yl)-7-(but-2-yn...)
Show SMILES CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O
Show InChI InChI=1S/C26H31N7O5/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-17(27)14-31)30(3)26(37)33(24(22)36)15-19(34)18-10-6-7-11-20(18)38-16-21(35)28-2/h6-7,10-11,17H,8-9,12-16,27H2,1-3H3,(H,28,35)/t17-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224600
PNG
(US9321791, 2(148) | US9556175, 2(148))
Show SMILES CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(C\C=C\C)c2c1=O
Show InChI InChI=1S/C26H33N7O5/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-17(27)14-31)30(3)26(37)33(24(22)36)15-19(34)18-10-6-7-11-20(18)38-16-21(35)28-2/h4-7,10-11,17H,8-9,12-16,27H2,1-3H3,(H,28,35)/b5-4+/t17-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224594
PNG
(US9321791, 2(132) | US9556175, 2(132))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc(C)c4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-18(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-10-19(20)17(2)14-28-21/h6-7,10-11,14,18H,8-9,12-13,15-16,27H2,1-3H3/t18-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224601
PNG
(US9321791, 2(150) | US9556175, 2(150))
Show SMILES CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@H](N)C3)n(C\C=C\C)c2c1=O
Show InChI InChI=1S/C26H33N7O5/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-17(27)14-31)30(3)26(37)33(24(22)36)15-19(34)18-10-6-7-11-20(18)38-16-21(35)28-2/h4-7,10-11,17H,8-9,12-16,27H2,1-3H3,(H,28,35)/b5-4+/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224587
PNG
(US9321791, 2(80) | US9556175, 2(80))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C24H26N8O2/c1-3-4-12-31-20-21(28-23(31)30-11-7-9-17(25)14-30)29(2)24(34)32(22(20)33)15-19-26-13-16-8-5-6-10-18(16)27-19/h5-6,8,10,13,17H,7,9,11-12,14-15,25H2,1-2H3/t17-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224606
PNG
(US9321791, 2(247) | US9556175, 2(247))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(C)c4nccnc4c3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-11-32-21-22(29-24(32)31-10-6-7-18(26)15-31)30(3)25(35)33(23(21)34)14-17-12-16(2)20-19(13-17)27-8-9-28-20/h8-9,12-13,18H,6-7,10-11,14-15,26H2,1-3H3/t18-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224588
PNG
(US9321791, 2(86) | US9556175, 2(86))
Show SMILES CCNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O
Show InChI InChI=1S/C27H33N7O5/c1-4-6-14-33-23-24(30-26(33)32-13-9-10-18(28)15-32)31(3)27(38)34(25(23)37)16-20(35)19-11-7-8-12-21(19)39-17-22(36)29-5-2/h7-8,11-12,18H,5,9-10,13-17,28H2,1-3H3,(H,29,36)/t18-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224589
PNG
(US9321791, 2(96) | US9556175, 2(96))
Show SMILES C\C=C\Cn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3NC(C)=O)c(=O)c12)N1CCCC(N)C1
Show InChI InChI=1S/C25H31N7O4/c1-4-5-13-31-21-22(28-24(31)30-12-8-9-17(26)14-30)29(3)25(36)32(23(21)35)15-20(34)18-10-6-7-11-19(18)27-16(2)33/h4-7,10-11,17H,8-9,12-15,26H2,1-3H3,(H,27,33)/b5-4+
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224602
PNG
(US9321791, 2(151) | US9556175, 2(151))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3NC(=O)C(C)C)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C27H33N7O4/c1-5-6-14-33-22-23(30-26(33)32-13-9-10-18(28)15-32)31(4)27(38)34(25(22)37)16-21(35)19-11-7-8-12-20(19)29-24(36)17(2)3/h7-8,11-12,17-18H,9-10,13-16,28H2,1-4H3,(H,29,36)/t18-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224592
PNG
(US9321791, 2(129) | US9556175, 2(129))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@H](N)C1
Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-10-19(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-9-18(20)14-17(2)28-21/h6-7,9,11,14,19H,8,10,12-13,15-16,27H2,1-3H3/t19-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224604
PNG
(US9321791, 2(185) | US9556175, 2(185))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(C#N)c4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C27H27N7O2/c1-3-4-14-33-23-24(30-26(33)32-13-7-8-20(29)17-32)31(2)27(36)34(25(23)35)16-19-12-11-18(15-28)21-9-5-6-10-22(19)21/h5-6,9-12,20H,7-8,13-14,16-17,29H2,1-2H3/t20-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224590
PNG
(US9321791, 2(100) | US9556175, 2(100))
Show SMILES C\C=C\Cn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3NC(=O)C(C)C)c(=O)c12)N1CCCC(N)C1
Show InChI InChI=1S/C27H35N7O4/c1-5-6-14-33-22-23(30-26(33)32-13-9-10-18(28)15-32)31(4)27(38)34(25(22)37)16-21(35)19-11-7-8-12-20(19)29-24(36)17(2)3/h5-8,11-12,17-18H,9-10,13-16,28H2,1-4H3,(H,29,36)/b6-5+
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224591
PNG
(US9321791, 2(108) | US9556175, 2(108))
Show SMILES C\C=C\Cn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C23H28N6O3/c1-3-4-13-28-19-20(25-22(28)27-12-8-11-17(24)14-27)26(2)23(32)29(21(19)31)15-18(30)16-9-6-5-7-10-16/h3-7,9-10,17H,8,11-15,24H2,1-2H3/b4-3+/t17-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224595
PNG
(US9321791, 2(135) | US9556175, 2(135))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3cccc4OCCOc34)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N6O5/c1-3-4-11-30-20-22(27-24(30)29-10-6-7-16(26)14-29)28(2)25(34)31(23(20)33)15-18(32)17-8-5-9-19-21(17)36-13-12-35-19/h5,8-9,16H,6-7,10-15,26H2,1-2H3/t16-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224613
PNG
(US9321791, 2(285) | US9556175, 2(285))
Show SMILES COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O
Show InChI InChI=1S/C24H28N6O4/c1-4-5-12-29-20-21(26-23(29)28-11-7-9-17(25)14-28)27(2)24(33)30(22(20)32)15-19(31)16-8-6-10-18(13-16)34-3/h6,8,10,13,17H,7,9,11-12,14-15,25H2,1-3H3/t17-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224593
PNG
(US9321791, 2(131) | US9556175, 2(131))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc(C)c4ccccc34)c(=O)c12)N1CCC[C@H](N)C1
Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-18(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-10-19(20)17(2)14-28-21/h6-7,10-11,14,18H,8-9,12-13,15-16,27H2,1-3H3/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50228406
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-10-19(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-9-18(20)14-17(2)28-21/h6-7,9,11,14,19H,8,10,12-13,15-16,27H2,1-3H3/t19-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224603
PNG
(US9321791, 2(152) | US9556175, 2(152))
Show SMILES C\C=C\Cn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3NC(=O)C(C)C)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C27H35N7O4/c1-5-6-14-33-22-23(30-26(33)32-13-9-10-18(28)15-32)31(4)27(38)34(25(22)37)16-21(35)19-11-7-8-12-20(19)29-24(36)17(2)3/h5-8,11-12,17-18H,9-10,13-16,28H2,1-4H3,(H,29,36)/b6-5+/t18-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224578
PNG
(US9321791, 2(25) | US9556175, 2(25))
Show SMILES CC(C)=CCn1c(nc2n(C)c(=O)n(Cc3ncnc4ccccc34)c(=O)c12)N1CCCC(N)C1
Show InChI InChI=1S/C25H30N8O2/c1-16(2)10-12-32-21-22(29-24(32)31-11-6-7-17(26)13-31)30(3)25(35)33(23(21)34)14-20-18-8-4-5-9-19(18)27-15-28-20/h4-5,8-10,15,17H,6-7,11-14,26H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224598
PNG
(US9321791, 2(139) | US9556175, 2(139))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3cccc4OCOc34)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C24H26N6O5/c1-3-4-11-29-19-21(26-23(29)28-10-6-7-15(25)12-28)27(2)24(33)30(22(19)32)13-17(31)16-8-5-9-18-20(16)35-14-34-18/h5,8-9,15H,6-7,10-14,25H2,1-2H3/t15-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224605
PNG
(US9321791, 2(217) | US9556175, 2(217))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(-c4ccccc4)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C30H30N8O2/c1-3-4-17-37-26-27(34-29(37)36-16-10-13-21(31)18-36)35(2)30(40)38(28(26)39)19-24-32-23-15-9-8-14-22(23)25(33-24)20-11-6-5-7-12-20/h5-9,11-12,14-15,21H,10,13,16-19,31H2,1-2H3/t21-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224599
PNG
(US9321791, 2(145) | US9556175, 2(145))
Show SMILES C\C=C\Cn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3NC(=O)C(C)C)c(=O)c12)N1CCC[C@H](N)C1
Show InChI InChI=1S/C27H35N7O4/c1-5-6-14-33-22-23(30-26(33)32-13-9-10-18(28)15-32)31(4)27(38)34(25(22)37)16-21(35)19-11-7-8-12-20(19)29-24(36)17(2)3/h5-8,11-12,17-18H,9-10,13-16,28H2,1-4H3,(H,29,36)/b6-5+/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224581
PNG
(US9321791, 2(37) | US9556175, 2(37))
Show SMILES CNC(=O)c1cccc(c1)C(=O)Cn1c(=O)n(C)c2nc(N3CCCC(N)C3)n(CC=C(C)C)c2c1=O
Show InChI InChI=1S/C26H33N7O4/c1-16(2)10-12-32-21-22(29-25(32)31-11-6-9-19(27)14-31)30(4)26(37)33(24(21)36)15-20(34)17-7-5-8-18(13-17)23(35)28-3/h5,7-8,10,13,19H,6,9,11-12,14-15,27H2,1-4H3,(H,28,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224612
PNG
(US9321791, 2(280) | US9556175, 2(280))
Show SMILES CC#CCn1c(nc2n(C3CC3)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C28H31N7O2/c1-3-4-14-33-24-25(31-27(33)32-13-7-9-20(29)16-32)35(21-11-12-21)28(37)34(26(24)36)17-23-22-10-6-5-8-19(22)15-18(2)30-23/h5-6,8,10,15,20-21H,7,9,11-14,16-17,29H2,1-2H3/t20-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224580
PNG
(US9321791, 2(35) | US9556175, 2(35))
Show SMILES CC(C)=CCn1c(nc2n(C)c(=O)n(CC(=O)c3cccc(c3)C(O)=O)c(=O)c12)N1CCCC(N)C1
Show InChI InChI=1S/C25H30N6O5/c1-15(2)9-11-30-20-21(27-24(30)29-10-5-8-18(26)13-29)28(3)25(36)31(22(20)33)14-19(32)16-6-4-7-17(12-16)23(34)35/h4,6-7,9,12,18H,5,8,10-11,13-14,26H2,1-3H3,(H,34,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224583
PNG
(US9321791, 2(51) | US9556175, 2(51))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(=O)n(C)c4ccccc34)c(=O)c12)N1CCCC(N)C1
Show InChI InChI=1S/C26H29N7O3/c1-4-5-13-32-22-23(28-25(32)31-12-8-9-18(27)16-31)30(3)26(36)33(24(22)35)15-17-14-21(34)29(2)20-11-7-6-10-19(17)20/h6-7,10-11,14,18H,8-9,12-13,15-16,27H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224582
PNG
(US9321791, 2(43) | US9556175, 2(43))
Show SMILES CC(C)=CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3C(=O)N3CCOCC3)c(=O)c12)N1CCCC(N)C1
Show InChI InChI=1S/C29H37N7O5/c1-19(2)10-12-35-24-25(31-28(35)34-11-6-7-20(30)17-34)32(3)29(40)36(27(24)39)18-23(37)21-8-4-5-9-22(21)26(38)33-13-15-41-16-14-33/h4-5,8-10,20H,6-7,11-18,30H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224610
PNG
(US9321791, 2(264) | US9556175, 2(264))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(cc4ccccc34)C(F)F)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C26H27F2N7O2/c1-3-4-12-34-21-23(31-25(34)33-11-7-9-17(29)14-33)32(2)26(37)35(24(21)36)15-20-18-10-6-5-8-16(18)13-19(30-20)22(27)28/h5-6,8,10,13,17,22H,7,9,11-12,14-15,29H2,1-2H3/t17-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224611
PNG
(US9321791, 2(277))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C29H30N6O3/c1-3-4-17-34-25-26(31-28(34)33-16-10-13-21(30)18-33)32(2)29(38)35(27(25)37)19-24(36)23-15-9-8-14-22(23)20-11-6-5-7-12-20/h5-9,11-12,14-15,21H,10,13,16-19,30H2,1-2H3/t21-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224597
PNG
(US9321791, 2(138) | US9556175, 2(138))
Show SMILES COc1ccc(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)c2ccccc12
Show InChI InChI=1S/C27H30N6O3/c1-4-5-15-32-23-24(29-26(32)31-14-8-9-19(28)17-31)30(2)27(35)33(25(23)34)16-18-12-13-22(36-3)21-11-7-6-10-20(18)21/h6-7,10-13,19H,8-9,14-17,28H2,1-3H3/t19-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224608
PNG
(US9321791, 2(256) | US9556175, 2(256))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(C\C=C\c3c(F)c(F)c(F)c(F)c3F)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C24H23F5N6O2/c1-3-4-10-34-20-21(31-23(34)33-9-5-7-13(30)12-33)32(2)24(37)35(22(20)36)11-6-8-14-15(25)17(27)19(29)18(28)16(14)26/h6,8,13H,5,7,9-12,30H2,1-2H3/b8-6+/t13-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224584
PNG
(US9321791, 2(52) | US9556175, 2(52))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ccnc4ccccc34)c(=O)c12)N1CCCC(N)C1
Show InChI InChI=1S/C25H27N7O2/c1-3-4-14-31-21-22(28-24(31)30-13-7-8-18(26)16-30)29(2)25(34)32(23(21)33)15-17-11-12-27-20-10-6-5-9-19(17)20/h5-6,9-12,18H,7-8,13-16,26H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224579
PNG
(US9321791, 2(27) | US9556175, 2(27))
Show SMILES CC(C)=CCn1c(nc2n(C)c(=O)n(Cc3cc4ccccc4cn3)c(=O)c12)N1CCCC(N)C1
Show InChI InChI=1S/C26H31N7O2/c1-17(2)10-12-32-22-23(29-25(32)31-11-6-9-20(27)15-31)30(3)26(35)33(24(22)34)16-21-13-18-7-4-5-8-19(18)14-28-21/h4-5,7-8,10,13-14,20H,6,9,11-12,15-16,27H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224614
PNG
(US9321791, 2(287) | US9556175, 2(287))
Show SMILES Cc1cc2ccccc2c(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c2=O)n1
Show InChI InChI=1S/C29H30ClN7O2/c1-18-14-19-8-3-5-11-22(19)24(32-18)17-37-27(38)25-26(34(2)29(37)39)33-28(35-13-7-10-21(31)16-35)36(25)15-20-9-4-6-12-23(20)30/h3-6,8-9,11-12,14,21H,7,10,13,15-17,31H2,1-2H3/t21-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224577
PNG
(US9321791, 2(20) | US9556175, 2(20))
Show SMILES CC(C)=CCn1c(nc2n(C)c(=O)n(Cc3ccc4ccccc4n3)c(=O)c12)N1CCCC(N)C1
Show InChI InChI=1S/C26H31N7O2/c1-17(2)12-14-32-22-23(29-25(32)31-13-6-8-19(27)15-31)30(3)26(35)33(24(22)34)16-20-11-10-18-7-4-5-9-21(18)28-20/h4-5,7,9-12,19H,6,8,13-16,27H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224607
PNG
(US9321791, 2(251) | US9556175, 2(251))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(F)c4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C26H27FN6O2/c1-3-4-14-32-22-23(29-25(32)31-13-7-8-18(28)16-31)30(2)26(35)33(24(22)34)15-17-11-12-21(27)20-10-6-5-9-19(17)20/h5-6,9-12,18H,7-8,13-16,28H2,1-2H3/t18-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224596
PNG
(US9321791, 2(137) | US9556175, 2(137))
Show SMILES COc1ccc(Cn2c(=O)n(C)c3nc(N4CCC[C@H](N)C4)n(CC#CC)c3c2=O)c2ccccc12
Show InChI InChI=1S/C27H30N6O3/c1-4-5-15-32-23-24(29-26(32)31-14-8-9-19(28)17-31)30(2)27(35)33(25(23)34)16-18-12-13-22(36-3)21-11-7-6-10-20(18)21/h6-7,10-13,19H,8-9,14-17,28H2,1-3H3/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224609
PNG
(US9321791, 2(260) | US9556175, 2(260))
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(cc4ccccc34)C(F)(F)F)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C26H26F3N7O2/c1-3-4-12-35-21-22(32-24(35)34-11-7-9-17(30)14-34)33(2)25(38)36(23(21)37)15-19-18-10-6-5-8-16(18)13-20(31-19)26(27,28)29/h5-6,8,10,13,17H,7,9,11-12,14-15,30H2,1-2H3/t17-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224615
PNG
(US9321791, 2(288) | US9556175, 2(288))
Show SMILES Cc1cc2ccccc2c(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Br)c3c2=O)n1
Show InChI InChI=1S/C29H30BrN7O2/c1-18-14-19-8-3-5-11-22(19)24(32-18)17-37-27(38)25-26(34(2)29(37)39)33-28(35-13-7-10-21(31)16-35)36(25)15-20-9-4-6-12-23(20)30/h3-6,8-9,11-12,14,21H,7,10,13,15-17,31H2,1-2H3/t21-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224575
PNG
(US9321791, 2(12) | US9556175, 2(12))
Show SMILES Cn1c(=O)n(CC#C)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O
Show InChI InChI=1S/C22H23N7O2/c1-3-10-28-19-18(20(30)26(2)22(28)31)29(13-16-8-5-4-7-15(16)12-23)21(25-19)27-11-6-9-17(24)14-27/h1,4-5,7-8,17H,6,9-11,13-14,24H2,2H3
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n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224586
PNG
(US9321791, 2(66) | US9556175, 2(66))
Show SMILES COc1cccc(C(=O)Cn2c(=O)n(C)c3nc(N4CCCC(N)C4)n(CC=C(C)C)c3c2=O)c1OC
Show InChI InChI=1S/C26H34N6O5/c1-16(2)11-13-31-21-23(28-25(31)30-12-7-8-17(27)14-30)29(3)26(35)32(24(21)34)15-19(33)18-9-6-10-20(36-4)22(18)37-5/h6,9-11,17H,7-8,12-15,27H2,1-5H3
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224576
PNG
(US9321791, 2(17) | US9556175, 2(17))
Show SMILES Cn1c(=O)n(-c2ccccc2)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O
Show InChI InChI=1S/C25H25N7O2/c1-29-23(33)21-22(32(25(29)34)20-11-3-2-4-12-20)28-24(30-13-7-10-19(27)16-30)31(21)15-18-9-6-5-8-17(18)14-26/h2-6,8-9,11-12,19H,7,10,13,15-16,27H2,1H3
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n/an/a 32n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224585
PNG
(US9321791, 2(59) | US9556175, 2(59))
Show SMILES CC(C)=CCn1c(nc2n(C)c(=O)n(CC(=O)N3CCCCC3)c(=O)c12)N1CCCC(N)C1
Show InChI InChI=1S/C23H35N7O3/c1-16(2)9-13-29-19-20(25-22(29)28-12-7-8-17(24)14-28)26(3)23(33)30(21(19)32)15-18(31)27-10-5-4-6-11-27/h9,17H,4-8,10-15,24H2,1-3H3
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n/an/a 250n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224574
PNG
(US9321791, 2(9) | US9556175, 2(9))
Show SMILES COCCn1c(=O)n(C)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O
Show InChI InChI=1S/C22H27N7O3/c1-26-19-18(20(30)28(22(26)31)10-11-32-2)29(13-16-7-4-3-6-15(16)12-23)21(25-19)27-9-5-8-17(24)14-27/h3-4,6-7,17H,5,8-11,13-14,24H2,1-2H3
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n/an/a 264n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM224573
PNG
(US9321791, 2(3) | US9556175, 2(3))
Show SMILES CC(C(=O)c1ccccc1)n1c(=O)n(C)c2nc(N3CCCC(N)C3)n(CC=C(C)C)c2c1=O
Show InChI InChI=1S/C25H32N6O3/c1-16(2)12-14-30-20-22(27-24(30)29-13-8-11-19(26)15-29)28(4)25(34)31(23(20)33)17(3)21(32)18-9-6-5-7-10-18/h5-7,9-10,12,17,19H,8,11,13-15,26H2,1-4H3
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n/an/a 2.16E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


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