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Compile Data Set for Download or QSAR

Found 394 hits with Last Name = 'broadwater' and Initial = 'j'   
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 A-4 hydrolase


(Homo sapiens (Human))
BDBM289984
PNG
(2-Methyl-8-{6-[5-(2H-pyrazol-3- yl)-pyridin-2-ylox...)
Show SMILES CN1CCC2(CCN(Cc3coc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc34)CC2)C1=O
Show InChI InChI=1S/C26H27N5O3/c1-30-11-7-26(25(30)32)8-12-31(13-9-26)16-19-17-33-23-14-20(3-4-21(19)23)34-24-5-2-18(15-27-24)22-6-10-28-29-22/h2-6,10,14-15,17H,7-9,11-13,16H2,1H3,(H,28,29)
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n/an/a 0.220n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289920
PNG
(2-Methoxy-1-(8-{6-[5-(2H-pyrazol-3-yl)-pyridin-2-y...)
Show SMILES COCC(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1
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n/an/a 0.330n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289869
PNG
(N-((R)-1-{6-[5-(2H-Pyrazol-3-yl)- pyridin-2-yloxy]...)
Show SMILES CC(=O)N[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
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n/an/a 0.340n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289983
PNG
((S)-3-Hydroxy-1-(1-{6-[5-(2H- pyrazol-3-yl)-pyridi...)
Show SMILES O[C@H]1CCN(C2CCN(Cc3coc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc34)CC2)C1=O |r|
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n/an/a 0.360n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289980
PNG
(N-(1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-ben...)
Show SMILES CC(=O)NCC1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
Show InChI InChI=1S/C25H27N5O3/c1-17(31)26-13-18-7-10-30(11-8-18)15-20-16-32-24-12-21(3-4-22(20)24)33-25-5-2-19(14-27-25)23-6-9-28-29-23/h2-6,9,12,14,16,18H,7-8,10-11,13,15H2,1H3,(H,26,31)(H,28,29)
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n/an/a 0.380n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289864
PNG
(2-Hydroxy-1-(4-{6-[5-(2H-pyrazol-3- yl)-pyridin-2-...)
Show SMILES OCC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C25H25N5O3/c31-17-25(32)30-11-9-29(10-12-30)16-18-1-2-20-14-22(5-3-19(20)13-18)33-24-6-4-21(15-26-24)23-7-8-27-28-23/h1-8,13-15,31H,9-12,16-17H2,(H,27,28)
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n/an/a 0.400n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289987
PNG
(2-Hydroxy-N-methyl-N-((R)-1-{6- [5-(2H-pyrazol-3-y...)
Show SMILES CN([C@@H]1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)C1)C(=O)CO |r|
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n/an/a 0.420n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289989
PNG
(2-Hydroxy-1-(7-{6-[5-(2H-pyrazol- 3-yl)-pyridin-2-...)
Show SMILES OCC(=O)N1CCC2(CCN(Cc3coc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc34)C2)C1
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n/an/a 0.430n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289897
PNG
(1-(4-{6-[5-(2H-Pyrazol-3-yl)-pyrimidin- 2-yloxy]-n...)
Show SMILES CCC(=O)N1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C25H26N6O2/c1-2-24(32)31-11-9-30(10-12-31)17-18-3-4-20-14-22(6-5-19(20)13-18)33-25-26-15-21(16-27-25)23-7-8-28-29-23/h3-8,13-16H,2,9-12,17H2,1H3,(H,28,29)
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n/an/a 0.430n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289858
PNG
(1-{6-[5-(2H-Pyrazol-3-yl)-pyridin-2-yloxy]-naphtha...)
Show SMILES OC1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
Show InChI InChI=1S/C22H20N4O2/c27-19-13-26(14-19)12-15-1-2-17-10-20(5-3-16(17)9-15)28-22-6-4-18(11-23-22)21-7-8-24-25-21/h1-11,19,27H,12-14H2,(H,24,25)
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n/an/a 0.430n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289917
PNG
((S)-2-Hydroxy-1-(8-{6-[5-(2H-pyrazol-3-yl)-pyridin...)
Show SMILES C[C@H](O)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 |r|
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n/an/a 0.430n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 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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n/an/a 0.440n/an/an/an/a7.525



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 US9303018 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S6Q
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289918
PNG
(2-Hydroxy-2-methyl-1-(8-{6-[5-(2H- pyrazol-3-yl)-p...)
Show SMILES CC(C)(O)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1
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n/an/a 0.450n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289859
PNG
(1-{6-[5-(2H-Pyrazol-3-yl)-pyridin-2- yloxy]-naphth...)
Show SMILES NC(=O)C1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
Show InChI InChI=1S/C23H21N5O2/c24-23(29)19-13-28(14-19)12-15-1-2-17-10-20(5-3-16(17)9-15)30-22-6-4-18(11-25-22)21-7-8-26-27-21/h1-11,19H,12-14H2,(H2,24,29)(H,26,27)
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n/an/a 0.460n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289932
PNG
(1-[1-(2-{6-[5-(2H-Pyrazol-3-yl)- pyridin-2-yloxy]-...)
Show SMILES O=C1CCCN1C1CCN(CCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
Show InChI InChI=1S/C27H29N5O3/c33-27-2-1-12-32(27)21-9-14-31(15-10-21)13-8-20-18-34-25-16-22(4-5-23(20)25)35-26-6-3-19(17-28-26)24-7-11-29-30-24/h3-7,11,16-18,21H,1-2,8-10,12-15H2,(H,29,30)
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n/an/a 0.470n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM290023
PNG
(2-Methyl-3-oxo-3-(4-{6-[5-(2H-pyrazol- 3-yl)-pyrid...)
Show SMILES CC(C#N)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
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n/an/a 0.470n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289867
PNG
(2-{6-[5-(2H-Pyrazol-3-yl)-pyridin-2-yloxy]-naphtha...)
Show SMILES OC1CC2(C1)CN(Cc1ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c1)C2
Show InChI InChI=1S/C25H24N4O2/c30-21-11-25(12-21)15-29(16-25)14-17-1-2-19-10-22(5-3-18(19)9-17)31-24-6-4-20(13-26-24)23-7-8-27-28-23/h1-10,13,21,30H,11-12,14-16H2,(H,27,28)
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n/an/a 0.480n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289861
PNG
((1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-napht...)
Show SMILES OCC1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
Show InChI InChI=1S/C23H22N4O2/c28-15-17-13-27(14-17)12-16-1-2-19-10-21(5-3-18(19)9-16)29-23-6-4-20(11-24-23)22-7-8-25-26-22/h1-11,17,28H,12-15H2,(H,25,26)
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n/an/a 0.480n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289976
PNG
(1-{6-[5-(2H-Pyrazol-3-yl)-pyridin-2- yloxy]-benzof...)
Show SMILES CNC(=O)C1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
Show InChI InChI=1S/C24H25N5O3/c1-25-24(30)16-7-10-29(11-8-16)14-18-15-31-22-12-19(3-4-20(18)22)32-23-5-2-17(13-26-23)21-6-9-27-28-21/h2-6,9,12-13,15-16H,7-8,10-11,14H2,1H3,(H,25,30)(H,27,28)
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n/an/a 0.490n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289860
PNG
(N-(1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-nap...)
Show SMILES CC(=O)NC1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
Show InChI InChI=1S/C24H23N5O2/c1-16(30)27-21-14-29(15-21)13-17-2-3-19-11-22(6-4-18(19)10-17)31-24-7-5-20(12-25-24)23-8-9-26-28-23/h2-12,21H,13-15H2,1H3,(H,26,28)(H,27,30)
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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 ...


US Patent US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289866
PNG
(2-Hydroxy-N-(1-{6-[5-(2H-pyrazol-3- yl)-pyridin-2-...)
Show SMILES OCC(=O)NC1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
Show InChI InChI=1S/C26H27N5O3/c32-17-25(33)29-22-8-11-31(12-9-22)16-18-1-2-20-14-23(5-3-19(20)13-18)34-26-6-4-21(15-27-26)24-7-10-28-30-24/h1-7,10,13-15,22,32H,8-9,11-12,16-17H2,(H,28,30)(H,29,33)
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n/an/a 0.5n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289916
PNG
((1-Hydroxy-cyclopropyl)-(8-{6-[5- (2H-pyrazol-3-yl...)
Show SMILES OC1(CC1)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1
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n/an/a 0.530n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289868
PNG
(3-Methyl-1-{6-[5-(2H-pyrazol-3- yl)-pyridin-2-ylox...)
Show SMILES CC1(O)CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
Show InChI InChI=1S/C23H22N4O2/c1-23(28)14-27(15-23)13-16-2-3-18-11-20(6-4-17(18)10-16)29-22-7-5-19(12-24-22)21-8-9-25-26-21/h2-12,28H,13-15H2,1H3,(H,25,26)
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n/an/a 0.530n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 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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n/an/a 0.540n/an/an/an/a7.525



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 US9303018 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S6Q
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289919
PNG
((R)-2-Hydroxy-1-(8-{6-[5-(2H-pyrazol-3-yl)-pyridin...)
Show SMILES C[C@@H](O)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 |r|
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n/an/a 0.540n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289977
PNG
(N-(1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-ben...)
Show SMILES CC(=O)NC1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
Show InChI InChI=1S/C24H25N5O3/c1-16(30)27-19-7-10-29(11-8-19)14-18-15-31-23-12-20(3-4-21(18)23)32-24-5-2-17(13-25-24)22-6-9-26-28-22/h2-6,9,12-13,15,19H,7-8,10-11,14H2,1H3,(H,26,28)(H,27,30)
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n/an/a 0.560n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289988
PNG
(2-Hydroxy-N-methyl-N-((S)-1-{6- [5-(2H-pyrazol-3-y...)
Show SMILES CN([C@H]1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)C1)C(=O)CO |r|
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n/an/a 0.560n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM290002
PNG
(2-Methoxy-2-methyl-1-(4-{6- [5-(2H-pyrazol-3-yl)-p...)
Show SMILES COC(C)(C)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
Show InChI InChI=1S/C27H30N6O3/c1-27(2,35-3)26(34)33-14-12-32(13-15-33)18-21-6-4-19-16-22(7-8-23(19)30-21)36-25-9-5-20(17-28-25)24-10-11-29-31-24/h4-11,16-17H,12-15,18H2,1-3H3,(H,29,31)
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n/an/a 0.560n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM290014
PNG
((R)-2-Methoxy-1-(4-{6-[5-(2H-pyrazol- 3-yl)-pyridi...)
Show SMILES CO[C@H](C)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
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n/an/a 0.570n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289863
PNG
((R)-1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-na...)
Show SMILES O[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
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n/an/a 0.570n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289970
PNG
(1-(4-{6-[5-(2H-Pyrazol-3-yl)-pyridin-2-yloxy]-benz...)
Show SMILES CC(=O)N1CCCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
Show InChI InChI=1S/C24H25N5O3/c1-17(30)29-10-2-9-28(11-12-29)15-19-16-31-23-13-20(4-5-21(19)23)32-24-6-3-18(14-25-24)22-7-8-26-27-22/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,26,27)
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n/an/a 0.580n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289968
PNG
(1-(4-{6-[4-(2H-Pyrazol-3-yl)- phenoxy]-imidazo[1,2...)
Show SMILES CC(=O)N1CCN(Cc2cn3cc(Oc4ccc(cc4)-c4ccn[nH]4)ccc3n2)CC1
Show InChI InChI=1S/C23H24N6O2/c1-17(30)28-12-10-27(11-13-28)14-19-15-29-16-21(6-7-23(29)25-19)31-20-4-2-18(3-5-20)22-8-9-24-26-22/h2-9,15-16H,10-14H2,1H3,(H,24,26)
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n/an/a 0.590n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 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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n/an/a 0.600n/an/an/an/a7.525



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 US9303018 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S6Q
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289862
PNG
((S)-1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-na...)
Show SMILES O[C@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
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n/an/a 0.600n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289878
PNG
(2-Hydroxy-1-[(R)-3-(methyl-{6-[5-(2H-pyrazol-3-yl)...)
Show SMILES OCC(=O)N1CC[C@H](C1)NCc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2c1 |r|
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n/an/a 0.630n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289881
PNG
(((R)-1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-n...)
Show SMILES OC[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
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n/an/a 0.640n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289956
PNG
(2-Methoxy-1-(4-{6-[4-(2H-pyrazol- 3-yl)-phenoxy]-i...)
Show SMILES COCC(=O)N1CCN(Cc2cn3cc(Oc4ccc(cc4)-c4ccn[nH]4)ccc3n2)CC1
Show InChI InChI=1S/C24H26N6O3/c1-32-17-24(31)29-12-10-28(11-13-29)14-19-15-30-16-21(6-7-23(30)26-19)33-20-4-2-18(3-5-20)22-8-9-25-27-22/h2-9,15-16H,10-14,17H2,1H3,(H,25,27)
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n/an/a 0.660n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289975
PNG
(2-Hydroxy-1-(7-{6-[5-(2H-pyrazol- 3-yl)-pyridin-2-...)
Show SMILES OCC(=O)N1CCC2(CCN(Cc3ccc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc4n3)C2)C1
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n/an/a 0.660n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289913
PNG
((S)-2-Methoxy-1-(8-{6-[5-(2H-pyrazol- 3-yl)-pyridi...)
Show SMILES CO[C@@H](C)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 |r|
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n/an/a 0.660n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289923
PNG
(1-(1-{(R)-6-[5-(2H-Pyrazol-3-yl)- pyridin-2-yloxy]...)
Show SMILES O=C1CCCN1C1CCN(C[C@H]2Cc3ccc(Oc4ccc(cn4)-c4ccn[nH]4)cc3O2)CC1 |r|
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n/an/a 0.660n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289880
PNG
(2-Hydroxy-N-methyl-N-((R)-1-{6-[5- (2H-pyrazol-3-y...)
Show SMILES CN([C@@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1)C(=O)CO |r|
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n/an/a 0.670n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289992
PNG
((S)-2-Methoxy-1-(4-{6-[5-(2H-pyrazol- 3-yl)-pyridi...)
Show SMILES CO[C@@H](C)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
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n/an/a 0.670n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289985
PNG
(2-(4-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-ben...)
Show SMILES O=C(CN1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1)N1CCCC1
Show InChI InChI=1S/C27H30N6O3/c34-27(33-9-1-2-10-33)18-32-13-11-31(12-14-32)17-21-19-35-25-15-22(4-5-23(21)25)36-26-6-3-20(16-28-26)24-7-8-29-30-24/h3-8,15-16,19H,1-2,9-14,17-18H2,(H,29,30)
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n/an/a 0.680n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 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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n/an/a 0.690n/an/an/an/a7.525



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 US9303018 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S6Q
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289910
PNG
(3-Oxo-3-(8-{6-[5-(2H-pyrazol-3-yl)-pyridin-2-yloxy...)
Show SMILES O=C(CC#N)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1
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n/an/a 0.690n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289981
PNG
(1-{4-[({6-[5-(2H-Pyrazol-3-yl)- pyridin-2-yloxy]-b...)
Show SMILES CC(=O)N1CCC(CNCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
Show InChI InChI=1S/C25H27N5O3/c1-17(31)30-10-7-18(8-11-30)13-26-14-20-16-32-24-12-21(3-4-22(20)24)33-25-5-2-19(15-27-25)23-6-9-28-29-23/h2-6,9,12,15-16,18,26H,7-8,10-11,13-14H2,1H3,(H,28,29)
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n/an/a 0.700n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289874
PNG
(2-(Methyl-{6-[5-(2H-pyrazol-3-yl)- pyridin-2-yloxy...)
Show SMILES CN(CCO)Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2c1
Show InChI InChI=1S/C22H22N4O2/c1-26(10-11-27)15-16-2-3-18-13-20(6-4-17(18)12-16)28-22-7-5-19(14-23-22)21-8-9-24-25-21/h2-9,12-14,27H,10-11,15H2,1H3,(H,24,25)
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n/an/a 0.700n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289982
PNG
(1-[4-({6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-be...)
Show SMILES CC(=O)N1CCC(CC1)NCc1coc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc12
Show InChI InChI=1S/C24H25N5O3/c1-16(30)29-10-7-19(8-11-29)25-14-18-15-31-23-12-20(3-4-21(18)23)32-24-5-2-17(13-26-24)22-6-9-27-28-22/h2-6,9,12-13,15,19,25H,7-8,10-11,14H2,1H3,(H,27,28)
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n/an/a 0.710n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289971
PNG
(2-Hydroxy-N-methyl-N-((R)-1-{6-[5-(2H-pyrazol-3-yl...)
Show SMILES CN([C@@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)C1)C(=O)CO |r|
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n/an/a 0.720n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM289911
PNG
(2,2-Dimethyl-3-oxo-3-(8-{6-[5-(2H- pyrazol-3-yl)-p...)
Show SMILES CC(C)(C#N)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1
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n/an/a 0.730n/an/an/an/a7.525



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 US9573957 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QTT
More data for this
Ligand-Target Pair
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