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Compile Data Set for Download or QSAR

Found 296 hits with Last Name = 'bylock' and Initial = 'la'   
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))
BDBM326921
PNG
(4-(1-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2- yl...)
Show SMILES OC(=O)CCCC1CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)CC1
Show InChI InChI=1S/C24H29NO4/c26-24(27)7-3-4-18-12-14-25(15-13-18)16-19-8-10-20(11-9-19)23-17-28-21-5-1-2-6-22(21)29-23/h1-2,5-6,8-11,18,23H,3-4,7,12-17H2,(H,26,27)/t23-/m1/s1
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n/an/a 0.0420n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326945
PNG
(1-(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]py...)
Show SMILES NC(=O)NC1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C20H24N4O3/c21-20(25)23-16-7-10-24(11-8-16)12-14-3-5-15(6-4-14)18-13-26-17-2-1-9-22-19(17)27-18/h1-6,9,16,18H,7-8,10-13H2,(H3,21,23,25)/t18-/m1/s1
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n/an/a 0.0700n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327137
PNG
(4-(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]py...)
Show SMILES OC(=O)c1ccc(cc1)C1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C26H26N2O4/c29-26(30)22-9-7-19(8-10-22)20-11-14-28(15-12-20)16-18-3-5-21(6-4-18)24-17-31-23-2-1-13-27-25(23)32-24/h1-10,13,20,24H,11-12,14-17H2,(H,29,30)/t24-/m1/s1
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n/an/a 0.0800n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326957
PNG
(N-(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]py...)
Show SMILES CS(=O)(=O)NC1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C20H25N3O4S/c1-28(24,25)22-17-8-11-23(12-9-17)13-15-4-6-16(7-5-15)19-14-26-18-3-2-10-21-20(18)27-19/h2-7,10,17,19,22H,8-9,11-14H2,1H3/t19-/m1/s1
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n/an/a 0.0900n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327016
PNG
((3S)-3-{4-[(1s,4s)-7- azabicyclo[2.2.1]hept-7- y...)
Show SMILES C(N1[C@H]2CC[C@@H]1CC2)c1ccc(cc1)[C@H]1COc2cccnc2O1
Show InChI InChI=1S/C20H22N2O2/c1-2-18-20(21-11-1)24-19(13-23-18)15-5-3-14(4-6-15)12-22-16-7-8-17(22)10-9-16/h1-6,11,16-17,19H,7-10,12-13H2/t16-,17+,19-/m1/s1
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n/an/a 0.0900n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327181
PNG
(1-{(1S,4S)-5-[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,...)
Show SMILES CC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1ccc(cc1)[C@H]1COc2cccnc2O1
Show InChI InChI=1S/C22H25N3O3/c1-15(26)25-13-18-8-9-19(25)12-24(18)11-16-4-6-17(7-5-16)21-14-27-20-3-2-10-23-22(20)28-21/h2-7,10,18-19,21H,8-9,11-14H2,1H3/t18-,19-,21+/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327189
PNG
(5-[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,3-b]pyridin...)
Show SMILES NC(=O)N1CC2CN(Cc3ccc(cc3)[C@H]3COc4cccnc4O3)CC2C1
Show InChI InChI=1S/C21H24N4O3/c22-21(26)25-11-16-9-24(10-17(16)12-25)8-14-3-5-15(6-4-14)19-13-27-18-2-1-7-23-20(18)28-19/h1-7,16-17,19H,8-13H2,(H2,22,26)/t16?,17?,19-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326947
PNG
(1-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2-yl]benz...)
Show SMILES CC1CCCCN1Cc1ccc(cc1)[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C21H25NO2/c1-16-6-4-5-13-22(16)14-17-9-11-18(12-10-17)21-15-23-19-7-2-3-8-20(19)24-21/h2-3,7-12,16,21H,4-6,13-15H2,1H3/t16?,21-/m1/s1
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n/an/a 0.100n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326992
PNG
((3S)-3-[4-(azepan-1- ylmethyl)phenyl]-2,3- dihyd...)
Show SMILES C(N1CCCCCC1)c1ccc(cc1)[C@H]1COc2cccnc2O1
Show InChI InChI=1S/C20H24N2O2/c1-2-4-13-22(12-3-1)14-16-7-9-17(10-8-16)19-15-23-18-6-5-11-21-20(18)24-19/h5-11,19H,1-4,12-15H2/t19-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327040
PNG
(4-(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]py...)
Show SMILES OC(=O)CCCC1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C23H28N2O4/c26-22(27)5-1-3-17-10-13-25(14-11-17)15-18-6-8-19(9-7-18)21-16-28-20-4-2-12-24-23(20)29-21/h2,4,6-9,12,17,21H,1,3,5,10-11,13-16H2,(H,26,27)/t21-/m1/s1
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n/an/a 0.100n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327151
PNG
(7-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2-yl]benz...)
Show SMILES NC(=O)N1CCCC11CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)C1
Show InChI InChI=1S/C23H27N3O3/c24-22(27)26-12-3-10-23(26)11-13-25(16-23)14-17-6-8-18(9-7-17)21-15-28-19-4-1-2-5-20(19)29-21/h1-2,4-9,21H,3,10-16H2,(H2,24,27)/t21-,23?/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326933
PNG
(US9662339, 184 | [(3R)-1-{4-[(2S)-2,3-dihydro-1,4-...)
Show SMILES OC(=O)C[C@H]1CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)C1
Show InChI InChI=1S/C21H23NO4/c23-21(24)11-16-9-10-22(13-16)12-15-5-7-17(8-6-15)20-14-25-18-3-1-2-4-19(18)26-20/h1-8,16,20H,9-14H2,(H,23,24)/t16-,20-/m1/s1
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n/an/a 0.110n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327185
PNG
((1S,4S)-5-[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,3-b...)
Show SMILES NC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(cc1)[C@H]1COc2cccnc2O1
Show InChI InChI=1S/C20H22N4O3/c21-20(25)24-11-15-8-16(24)10-23(15)9-13-3-5-14(6-4-13)18-12-26-17-2-1-7-22-19(17)27-18/h1-7,15-16,18H,8-12H2,(H2,21,25)/t15-,16-,18+/m0/s1
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n/an/a 0.110n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326944
PNG
(7-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]pyrid...)
Show SMILES O=C1CCC2(CCN(Cc3ccc(cc3)[C@H]3COc4cccnc4O3)C2)N1
Show InChI InChI=1S/C21H23N3O3/c25-19-7-8-21(23-19)9-11-24(14-21)12-15-3-5-16(6-4-15)18-13-26-17-2-1-10-22-20(17)27-18/h1-6,10,18H,7-9,11-14H2,(H,23,25)/t18-,21?/m1/s1
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n/an/a 0.120n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326997
PNG
(1-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2- yl]be...)
Show SMILES OC(=O)C1CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)CC1
Show InChI InChI=1S/C21H23NO4/c23-21(24)17-9-11-22(12-10-17)13-15-5-7-16(8-6-15)20-14-25-18-3-1-2-4-19(18)26-20/h1-8,17,20H,9-14H2,(H,23,24)/t20-/m1/s1
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n/an/a 0.120n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327156
PNG
((1-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2- yl]b...)
Show SMILES O=C(C1CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)CC1)N1CCOCC1
Show InChI InChI=1S/C25H30N2O4/c28-25(27-13-15-29-16-14-27)21-9-11-26(12-10-21)17-19-5-7-20(8-6-19)24-18-30-22-3-1-2-4-23(22)31-24/h1-8,21,24H,9-18H2/t24-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327007
PNG
(N-(1-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2- yl...)
Show SMILES CN(C1CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)C1)C(C)=O
Show InChI InChI=1S/C22H26N2O3/c1-16(25)23(2)19-11-12-24(14-19)13-17-7-9-18(10-8-17)22-15-26-20-5-3-4-6-21(20)27-22/h3-10,19,22H,11-15H2,1-2H3/t19?,22-/m1/s1
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n/an/a 0.130n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327061
PNG
(1-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2-yl]benz...)
Show SMILES C(N1CCC(CC1)c1nnn[nH]1)c1ccc(cc1)[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C21H23N5O2/c1-2-4-19-18(3-1)27-14-20(28-19)16-7-5-15(6-8-16)13-26-11-9-17(10-12-26)21-22-24-25-23-21/h1-8,17,20H,9-14H2,(H,22,23,24,25)/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327068
PNG
((3S)-3-{4-[(3-methoxypiperidin- 1-yl)methyl]phenyl...)
Show SMILES COC1CCCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)C1
Show InChI InChI=1S/C20H24N2O3/c1-23-17-4-3-11-22(13-17)12-15-6-8-16(9-7-15)19-14-24-18-5-2-10-21-20(18)25-19/h2,5-10,17,19H,3-4,11-14H2,1H3/t17?,19-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327093
PNG
(1-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2-yl]benz...)
Show SMILES O=S1(=O)CCCN1C1CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)CC1
Show InChI InChI=1S/C23H28N2O4S/c26-30(27)15-3-12-25(30)20-10-13-24(14-11-20)16-18-6-8-19(9-7-18)23-17-28-21-4-1-2-5-22(21)29-23/h1-2,4-9,20,23H,3,10-17H2/t23-/m1/s1
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n/an/a 0.130n/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327096
PNG
(8-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]pyridin...)
Show SMILES O=C1NC(=O)C2(CCN(Cc3ccc(cc3)[C@H]3COc4cccnc4O3)CC2)N1
Show InChI InChI=1S/C21H22N4O4/c26-19-21(24-20(27)23-19)7-10-25(11-8-21)12-14-3-5-15(6-4-14)17-13-28-16-2-1-9-22-18(16)29-17/h1-6,9,17H,7-8,10-13H2,(H2,23,24,26,27)/t17-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327012
PNG
((3R)-1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]...)
Show SMILES O[C@@H]1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)C1
Show InChI InChI=1S/C18H20N2O3/c21-15-7-9-20(11-15)10-13-3-5-14(6-4-13)17-12-22-16-2-1-8-19-18(16)23-17/h1-6,8,15,17,21H,7,9-12H2/t15-,17-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327084
PNG
((1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]pyridi...)
Show SMILES O=C(C1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1)N1CCOCC1
Show InChI InChI=1S/C24H29N3O4/c28-24(27-12-14-29-15-13-27)20-7-10-26(11-8-20)16-18-3-5-19(6-4-18)22-17-30-21-2-1-9-25-23(21)31-22/h1-6,9,20,22H,7-8,10-17H2/t22-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327085
PNG
(N-(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]py...)
Show SMILES OCC(=O)NC1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C21H25N3O4/c25-13-20(26)23-17-7-10-24(11-8-17)12-15-3-5-16(6-4-15)19-14-27-18-2-1-9-22-21(18)28-19/h1-6,9,17,19,25H,7-8,10-14H2,(H,23,26)/t19-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327133
PNG
(4-[(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]p...)
Show SMILES OC(=O)c1ccc(CC2CCN(Cc3ccc(cc3)[C@H]3COc4cccnc4O3)CC2)cc1
Show InChI InChI=1S/C27H28N2O4/c30-27(31)23-9-3-19(4-10-23)16-20-11-14-29(15-12-20)17-21-5-7-22(8-6-21)25-18-32-24-2-1-13-28-26(24)33-25/h1-10,13,20,25H,11-12,14-18H2,(H,30,31)/t25-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327187
PNG
(1-{5-[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,3-b]pyri...)
Show SMILES CC(=O)N1CC2CN(Cc3ccc(cc3)[C@H]3COc4cccnc4O3)CC2C1
Show InChI InChI=1S/C22H25N3O3/c1-15(26)25-12-18-10-24(11-19(18)13-25)9-16-4-6-17(7-5-16)21-14-27-20-3-2-8-23-22(20)28-21/h2-8,18-19,21H,9-14H2,1H3/t18?,19?,21-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326973
PNG
(8-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2-yl]benz...)
Show SMILES O=C1NCCC11CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)CC1
Show InChI InChI=1S/C23H26N2O3/c26-22-23(9-12-24-22)10-13-25(14-11-23)15-17-5-7-18(8-6-17)21-16-27-19-3-1-2-4-20(19)28-21/h1-8,21H,9-16H2,(H,24,26)/t21-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327013
PNG
((3S)-3-[4-(morpholin-4- ylmethyl)phenyl]-2,3- di...)
Show SMILES C(N1CCOCC1)c1ccc(cc1)[C@H]1COc2cccnc2O1
Show InChI InChI=1S/C18H20N2O3/c1-2-16-18(19-7-1)23-17(13-22-16)15-5-3-14(4-6-15)12-20-8-10-21-11-9-20/h1-7,17H,8-13H2/t17-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327153
PNG
(3-[(4-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2- y...)
Show SMILES OC(=O)c1cccc(CN2CCN(Cc3ccc(cc3)[C@H]3COc4ccccc4O3)CC2)c1
Show InChI InChI=1S/C27H28N2O4/c30-27(31)23-5-3-4-21(16-23)18-29-14-12-28(13-15-29)17-20-8-10-22(11-9-20)26-19-32-24-6-1-2-7-25(24)33-26/h1-11,16,26H,12-15,17-19H2,(H,30,31)/t26-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327169
PNG
(N-{1-[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,3-b]pyri...)
Show SMILES COCC(=O)NC1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C22H27N3O4/c1-27-15-21(26)24-18-8-11-25(12-9-18)13-16-4-6-17(7-5-16)20-14-28-19-3-2-10-23-22(19)29-20/h2-7,10,18,20H,8-9,11-15H2,1H3,(H,24,26)/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327191
PNG
(2-{1-[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,3-b]pyri...)
Show SMILES NC(=O)COC1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C21H25N3O4/c22-20(25)14-26-17-7-10-24(11-8-17)12-15-3-5-16(6-4-15)19-13-27-18-2-1-9-23-21(18)28-19/h1-6,9,17,19H,7-8,10-14H2,(H2,22,25)/t19-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326936
PNG
(8-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]pyrid...)
Show SMILES O=C1NCCC11CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(7-11-24-21)8-12-25(13-9-22)14-16-3-5-17(6-4-16)19-15-27-18-2-1-10-23-20(18)28-19/h1-6,10,19H,7-9,11-15H2,(H,24,26)/t19-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326953
PNG
(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]pyrid...)
Show SMILES OC(=O)C1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C20H22N2O4/c23-20(24)16-7-10-22(11-8-16)12-14-3-5-15(6-4-14)18-13-25-17-2-1-9-21-19(17)26-18/h1-6,9,16,18H,7-8,10-13H2,(H,23,24)/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327072
PNG
(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]pyridin...)
Show SMILES N#CC1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C20H21N3O2/c21-12-15-7-10-23(11-8-15)13-16-3-5-17(6-4-16)19-14-24-18-2-1-9-22-20(18)25-19/h1-6,9,15,19H,7-8,10-11,13-14H2/t19-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327081
PNG
(N-(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]py...)
Show SMILES CC(C)(O)C(=O)NC1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C23H29N3O4/c1-23(2,28)22(27)25-18-9-12-26(13-10-18)14-16-5-7-17(8-6-16)20-15-29-19-4-3-11-24-21(19)30-20/h3-8,11,18,20,28H,9-10,12-15H2,1-2H3,(H,25,27)/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327089
PNG
(N-(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]py...)
Show SMILES OC1(CC1)C(=O)NC1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C23H27N3O4/c27-22(23(28)9-10-23)25-18-7-12-26(13-8-18)14-16-3-5-17(6-4-16)20-15-29-19-2-1-11-24-21(19)30-20/h1-6,11,18,20,28H,7-10,12-15H2,(H,25,27)/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327106
PNG
(N-{l-[4-(2,3-dihydro-1,4- benzodioxin-2- yl)benz...)
Show SMILES CS(=O)(=O)NC1CCN(Cc2ccc(cc2)C2COc3ccccc3O2)CC1
Show InChI InChI=1S/C21H26N2O4S/c1-28(24,25)22-18-10-12-23(13-11-18)14-16-6-8-17(9-7-16)21-15-26-19-4-2-3-5-20(19)27-21/h2-9,18,21-22H,10-15H2,1H3
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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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327152
PNG
(1-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2-yl]benz...)
Show SMILES CNC(=O)C1CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H26N2O3/c1-23-22(25)18-10-12-24(13-11-18)14-16-6-8-17(9-7-16)21-15-26-19-4-2-3-5-20(19)27-21/h2-9,18,21H,10-15H2,1H3,(H,23,25)/t21-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327168
PNG
(US9662339, 251 | [(1alpha,5alpha,6alpha)-3-[(S)-4-...)
Show SMILES CC(C)(O)CNC(=O)[C@@H]1[C@H]2CN(Cc3ccc(cc3)[C@H]3COc4cccnc4O3)C[C@@H]12
Show InChI InChI=1S/C24H29N3O4/c1-24(2,29)14-26-22(28)21-17-11-27(12-18(17)21)10-15-5-7-16(8-6-15)20-13-30-19-4-3-9-25-23(19)31-20/h3-9,17-18,20-21,29H,10-14H2,1-2H3,(H,26,28)/t17-,18+,20-,21+/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327182
PNG
(4-{1-[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,3-b]pyri...)
Show SMILES OC(=O)C1CCC(CC1)C1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C26H32N2O4/c29-26(30)22-9-7-19(8-10-22)20-11-14-28(15-12-20)16-18-3-5-21(6-4-18)24-17-31-23-2-1-13-27-25(23)32-24/h1-6,13,19-20,22,24H,7-12,14-17H2,(H,29,30)/t19?,22?,24-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327190
PNG
(US9662339, 273 | {(exo)-8-[(S)-4-(2,3-Dihydro- [1...)
Show SMILES NC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(cc1)[C@H]1COc2cccnc2O1
Show InChI InChI=1S/C22H26N4O3/c23-22(27)25-16-10-17-7-8-18(11-16)26(17)12-14-3-5-15(6-4-14)20-13-28-19-2-1-9-24-21(19)29-20/h1-6,9,16-18,20H,7-8,10-13H2,(H3,23,25,27)/t16-,17-,18+,20-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327209
PNG
(1-{(1S,4S)-5-[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,3...)
Show SMILES CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(cc1)[C@H]1COc2cccnc2O1
Show InChI InChI=1S/C21H23N3O3/c1-14(25)24-12-17-9-18(24)11-23(17)10-15-4-6-16(7-5-15)20-13-26-19-3-2-8-22-21(19)27-20/h2-8,17-18,20H,9-13H2,1H3/t17-,18-,20+/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327004
PNG
(N-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]pyrid...)
Show SMILES CN(Cc1ccc(cc1)[C@H]1COc2cccnc2O1)C1CCCC1
Show InChI InChI=1S/C20H24N2O2/c1-22(17-5-2-3-6-17)13-15-8-10-16(11-9-15)19-14-23-18-7-4-12-21-20(18)24-19/h4,7-12,17,19H,2-3,5-6,13-14H2,1H3/t19-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327044
PNG
(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]pyrid...)
Show SMILES CNC(=O)C1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C21H25N3O3/c1-22-20(25)17-8-11-24(12-9-17)13-15-4-6-16(7-5-15)19-14-26-18-3-2-10-23-21(18)27-19/h2-7,10,17,19H,8-9,11-14H2,1H3,(H,22,25)/t19-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327088
PNG
(1-[(1-{4-[(3S)-2,3- dihydro[1,4]dioxino[2,3- b]pyr...)
Show SMILES O=C1CCCN1CC1CCCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)C1
Show InChI InChI=1S/C24H29N3O3/c28-23-6-3-13-27(23)16-19-4-2-12-26(15-19)14-18-7-9-20(10-8-18)22-17-29-21-5-1-11-25-24(21)30-22/h1,5,7-11,19,22H,2-4,6,12-17H2/t19?,22-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327111
PNG
(N-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2-yl]benz...)
Show SMILES CCN(Cc1ccc(cc1)[C@H]1COc2ccccc2O1)C1CCCC1
Show InChI InChI=1S/C22H27NO2/c1-2-23(19-7-3-4-8-19)15-17-11-13-18(14-12-17)22-16-24-20-9-5-6-10-21(20)25-22/h5-6,9-14,19,22H,2-4,7-8,15-16H2,1H3/t22-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327164
PNG
(US9662339, 247 | [(1alpha,5alpha,6alpha)-3-[(S)-4-...)
Show SMILES C[C@H](O)CNC(=O)[C@@H]1[C@H]2CN(Cc3ccc(cc3)[C@H]3COc4cccnc4O3)C[C@@H]12
Show InChI InChI=1S/C23H27N3O4/c1-14(27)9-25-22(28)21-17-11-26(12-18(17)21)10-15-4-6-16(7-5-15)20-13-29-19-3-2-8-24-23(19)30-20/h2-8,14,17-18,20-21,27H,9-13H2,1H3,(H,25,28)/t14-,17-,18+,20+,21+/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327165
PNG
(US9662339, 248 | [(1alpha,5alpha,6alpha)-3-[(S)-4-...)
Show SMILES C[C@@H](CO)NC(=O)[C@@H]1[C@H]2CN(Cc3ccc(cc3)[C@H]3COc4cccnc4O3)C[C@@H]12
Show InChI InChI=1S/C23H27N3O4/c1-14(12-27)25-22(28)21-17-10-26(11-18(17)21)9-15-4-6-16(7-5-15)20-13-29-19-3-2-8-24-23(19)30-20/h2-8,14,17-18,20-21,27H,9-13H2,1H3,(H,25,28)/t14-,17-,18+,20+,21+/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327172
PNG
(1-[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,3-b]pyridin...)
Show SMILES CC(C)(O)CNC(=O)C1CCN(Cc2ccc(cc2)[C@H]2COc3cccnc3O2)CC1
Show InChI InChI=1S/C24H31N3O4/c1-24(2,29)16-26-22(28)19-9-12-27(13-10-19)14-17-5-7-18(8-6-17)21-15-30-20-4-3-11-25-23(20)31-21/h3-8,11,19,21,29H,9-10,12-16H2,1-2H3,(H,26,28)/t21-/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM327198
PNG
(1-{(1S,4S)-5-[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,...)
Show SMILES OCC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1ccc(cc1)[C@H]1COc2cccnc2O1
Show InChI InChI=1S/C22H25N3O4/c26-13-21(27)25-12-17-7-8-18(25)11-24(17)10-15-3-5-16(6-4-15)20-14-28-19-2-1-9-23-22(19)29-20/h1-6,9,17-18,20,26H,7-8,10-14H2/t17-,18-,20+/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 ...


US Patent US9662339 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
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