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Patent code US9303018

Compile Data Set for Download or QSAR
Found 23 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
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217341
PNG
(US9303018, 14)
Show SMILES CCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C25H26N6O2/c1-2-25(32)31-11-9-30(10-12-31)17-18-13-19-3-5-21(14-23(19)26-15-18)33-24-6-4-20(16-27-24)22-7-8-28-29-22/h3-8,13-16H,2,9-12,17H2,1H3,(H,28,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217350
PNG
(US9303018, 23)
Show SMILES CC(C)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C26H28N6O2/c1-18(2)26(33)32-11-9-31(10-12-32)17-19-13-20-3-5-22(14-24(20)27-15-19)34-25-6-4-21(16-28-25)23-7-8-29-30-23/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,29,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217329
PNG
(US9303018, 2)
Show SMILES CC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C24H24N6O2/c1-17(31)30-10-8-29(9-11-30)16-18-12-19-2-4-21(13-23(19)25-14-18)32-24-5-3-20(15-26-24)22-6-7-27-28-22/h2-7,12-15H,8-11,16H2,1H3,(H,27,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217328
PNG
(US9303018, 1)
Show SMILES OCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C24H24N6O3/c31-16-24(32)30-9-7-29(8-10-30)15-17-11-18-1-3-20(12-22(18)25-13-17)33-23-4-2-19(14-26-23)21-5-6-27-28-21/h1-6,11-14,31H,7-10,15-16H2,(H,27,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217336
PNG
(US9303018, 9)
Show SMILES CN(Cc1cnc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2c1)[C@@H]1CCN(C1)C(=O)CO
Show InChI InChI=1S/C25H26N6O3/c1-30(20-7-9-31(15-20)25(33)16-32)14-17-10-18-2-4-21(11-23(18)26-12-17)34-24-5-3-19(13-27-24)22-6-8-28-29-22/h2-6,8,10-13,20,32H,7,9,14-16H2,1H3,(H,28,29)/t20-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217349
PNG
(US9303018, 22)
Show SMILES O=C(C1CC1)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C26H26N6O2/c33-26(19-1-2-19)32-11-9-31(10-12-32)17-18-13-20-3-5-22(14-24(20)27-15-18)34-25-6-4-21(16-28-25)23-7-8-29-30-23/h3-8,13-16,19H,1-2,9-12,17H2,(H,29,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217345
PNG
(US9303018, 18)
Show SMILES C[C@H](O)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C25H26N6O3/c1-17(32)25(33)31-10-8-30(9-11-31)16-18-12-19-2-4-21(13-23(19)26-14-18)34-24-5-3-20(15-27-24)22-6-7-28-29-22/h2-7,12-15,17,32H,8-11,16H2,1H3,(H,28,29)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217343
PNG
(US9303018, 16)
Show SMILES CN(CC1CN(C1)C(C)=O)Cc1cnc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2c1
Show InChI InChI=1S/C25H26N6O2/c1-17(32)31-15-19(16-31)14-30(2)13-18-9-20-3-5-22(10-24(20)26-11-18)33-25-6-4-21(12-27-25)23-7-8-28-29-23/h3-12,19H,13-16H2,1-2H3,(H,28,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217337
PNG
(US9303018, 10)
Show SMILES CN(Cc1cnc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2c1)[C@H]1CCN(C1)C(=O)CO
Show InChI InChI=1S/C25H26N6O3/c1-30(20-7-9-31(15-20)25(33)16-32)14-17-10-18-2-4-21(11-23(18)26-12-17)34-24-5-3-19(13-27-24)22-6-8-28-29-22/h2-6,8,10-13,20,32H,7,9,14-16H2,1H3,(H,28,29)/t20-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217331
PNG
(US9303018, 4)
Show SMILES COCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C25H26N6O3/c1-33-17-25(32)31-10-8-30(9-11-31)16-18-12-19-2-4-21(13-23(19)26-14-18)34-24-5-3-20(15-27-24)22-6-7-28-29-22/h2-7,12-15H,8-11,16-17H2,1H3,(H,28,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217346
PNG
(US9303018, 19)
Show SMILES CN(C)C(=O)C1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C26H28N6O2/c1-31(2)26(33)19-8-11-32(12-9-19)17-18-13-20-3-5-22(14-24(20)27-15-18)34-25-6-4-21(16-28-25)23-7-10-29-30-23/h3-7,10,13-16,19H,8-9,11-12,17H2,1-2H3,(H,29,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217347
PNG
(US9303018, 20)
Show SMILES CC(C)(O)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C26H28N6O3/c1-26(2,34)25(33)32-11-9-31(10-12-32)17-18-13-19-3-5-21(14-23(19)27-15-18)35-24-6-4-20(16-28-24)22-7-8-29-30-22/h3-8,13-16,34H,9-12,17H2,1-2H3,(H,29,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217344
PNG
(US9303018, 17)
Show SMILES O[C@@H]1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
Show InChI InChI=1S/C22H21N5O2/c28-18-6-8-27(14-18)13-15-9-16-1-3-19(10-21(16)23-11-15)29-22-4-2-17(12-24-22)20-5-7-25-26-20/h1-5,7,9-12,18,28H,6,8,13-14H2,(H,25,26)/t18-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217348
PNG
(US9303018, 21)
Show SMILES CC(C)(C)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C27H30N6O2/c1-27(2,3)26(34)33-12-10-32(11-13-33)18-19-14-20-4-6-22(15-24(20)28-16-19)35-25-7-5-21(17-29-25)23-8-9-30-31-23/h4-9,14-17H,10-13,18H2,1-3H3,(H,30,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217339
PNG
(US9303018, 12)
Show SMILES CN([C@@H]1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1)C(=O)CO
Show InChI InChI=1S/C25H26N6O3/c1-30(25(33)16-32)20-7-9-31(15-20)14-17-10-18-2-4-21(11-23(18)26-12-17)34-24-5-3-19(13-27-24)22-6-8-28-29-22/h2-6,8,10-13,20,32H,7,9,14-16H2,1H3,(H,28,29)/t20-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217333
PNG
(US9303018, 6)
Show SMILES O=C1OCCN1C1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C26H26N6O3/c33-26-32(11-12-34-26)21-6-9-31(10-7-21)17-18-13-19-1-3-22(14-24(19)27-15-18)35-25-4-2-20(16-28-25)23-5-8-29-30-23/h1-5,8,13-16,21H,6-7,9-12,17H2,(H,29,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217335
PNG
(US9303018, 8)
Show SMILES CC1(O)CN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
Show InChI InChI=1S/C22H21N5O2/c1-22(28)13-27(14-22)12-15-8-16-2-4-18(9-20(16)23-10-15)29-21-5-3-17(11-24-21)19-6-7-25-26-19/h2-11,28H,12-14H2,1H3,(H,25,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217340
PNG
(US9303018, 13)
Show SMILES O[C@H]1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
Show InChI InChI=1S/C22H21N5O2/c28-18-6-8-27(14-18)13-15-9-16-1-3-19(10-21(16)23-11-15)29-22-4-2-17(12-24-22)20-5-7-25-26-20/h1-5,7,9-12,18,28H,6,8,13-14H2,(H,25,26)/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217332
PNG
(US9303018, 5)
Show SMILES O[C@H]1CCN(C2CCN(Cc3cnc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc4c3)CC2)C1=O
Show InChI InChI=1S/C27H28N6O3/c34-25-8-12-33(27(25)35)21-6-10-32(11-7-21)17-18-13-19-1-3-22(14-24(19)28-15-18)36-26-4-2-20(16-29-26)23-5-9-30-31-23/h1-5,9,13-16,21,25,34H,6-8,10-12,17H2,(H,30,31)/t25-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217338
PNG
(US9303018, 11)
Show SMILES CN([C@H]1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1)C(=O)CO
Show InChI InChI=1S/C25H26N6O3/c1-30(25(33)16-32)20-7-9-31(15-20)14-17-10-18-2-4-21(11-23(18)26-12-17)34-24-5-3-19(13-27-24)22-6-8-28-29-22/h2-6,8,10-13,20,32H,7,9,14-16H2,1H3,(H,28,29)/t20-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217342
PNG
(US9303018, 15)
Show SMILES CN(C1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1)C(=O)CO
Show InChI InChI=1S/C26H28N6O3/c1-31(26(34)17-33)21-7-10-32(11-8-21)16-18-12-19-2-4-22(13-24(19)27-14-18)35-25-5-3-20(15-28-25)23-6-9-29-30-23/h2-6,9,12-15,21,33H,7-8,10-11,16-17H2,1H3,(H,29,30)
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n/an/a 3.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217334
PNG
(US9303018, 7)
Show SMILES OC1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C23H23N5O2/c29-19-6-9-28(10-7-19)15-16-11-17-1-3-20(12-22(17)24-13-16)30-23-4-2-18(14-25-23)21-5-8-26-27-21/h1-5,8,11-14,19,29H,6-7,9-10,15H2,(H,26,27)
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n/an/a 3.70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


Citation and Details
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM217330
PNG
(US9303018, 3)
Show SMILES OC1CN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
Show InChI InChI=1S/C21H19N5O2/c27-17-12-26(13-17)11-14-7-15-1-3-18(8-20(15)22-9-14)28-21-4-2-16(10-23-21)19-5-6-24-25-19/h1-10,17,27H,11-13H2,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


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