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Patent code US8772304

Compile Data Set for Download or QSAR
Found 33 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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125960
PNG
(US8772304, 22)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cc(Cl)cnc1-n1cncn1
Show InChI InChI=1S/C22H20ClN9/c1-22(2,3)32-18-5-4-13(14-8-27-21(24)28-9-14)6-17(18)30-20(32)16-7-15(23)10-26-19(16)31-12-25-11-29-31/h4-12H,1-3H3,(H2,24,27,28)
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n/an/a 3.20n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125961
PNG
(US8772304, 23)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cc(Br)cnc1-n1cncn1
Show InChI InChI=1S/C22H20BrN9/c1-22(2,3)32-18-5-4-13(14-8-27-21(24)28-9-14)6-17(18)30-20(32)16-7-15(23)10-26-19(16)31-12-25-11-29-31/h4-12H,1-3H3,(H2,24,27,28)
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n/an/a 4n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125940
PNG
(US8772304, 2)
Show SMILES Cc1ncn(n1)-c1ccc(nc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1)C#N
Show InChI InChI=1S/C24H22N10/c1-14-29-13-33(32-14)20-8-6-17(10-25)30-21(20)22-31-18-9-15(16-11-27-23(26)28-12-16)5-7-19(18)34(22)24(2,3)4/h5-9,11-13H,1-4H3,(H2,26,27,28)
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n/an/a 4.20n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125941
PNG
(US8772304, 3)
Show SMILES Cc1ncnn1-c1ccc(nc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1)C#N
Show InChI InChI=1S/C24H22N10/c1-14-29-13-30-34(14)20-8-6-17(10-25)31-21(20)22-32-18-9-15(16-11-27-23(26)28-12-16)5-7-19(18)33(22)24(2,3)4/h5-9,11-13H,1-4H3,(H2,26,27,28)
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n/an/a 5.90n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125939
PNG
(US8772304, 1)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1nc(ccc1-n1cncn1)C#N
Show InChI InChI=1S/C23H20N10/c1-23(2,3)33-18-6-4-14(15-10-27-22(25)28-11-15)8-17(18)31-21(33)20-19(32-13-26-12-29-32)7-5-16(9-24)30-20/h4-8,10-13H,1-3H3,(H2,25,27,28)
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n/an/a 7.10n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125964
PNG
(US8772304, 26)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cc(cnc1-n1cncn1)C#N
Show InChI InChI=1S/C23H20N10/c1-23(2,3)33-19-5-4-15(16-10-28-22(25)29-11-16)7-18(19)31-21(33)17-6-14(8-24)9-27-20(17)32-13-26-12-30-32/h4-7,9-13H,1-3H3,(H2,25,28,29)
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n/an/a 10n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125963
PNG
(US8772304, 25)
Show SMILES Cc1ncn(n1)-c1ncccc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show InChI InChI=1S/C23H23N9/c1-14-28-13-31(30-14)20-17(6-5-9-25-20)21-29-18-10-15(16-11-26-22(24)27-12-16)7-8-19(18)32(21)23(2,3)4/h5-13H,1-4H3,(H2,24,26,27)
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n/an/a 12n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125942
PNG
(US8772304, 4)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1nc(ccc1-n1cncn1)C1CC1
Show InChI InChI=1S/C25H25N9/c1-25(2,3)34-20-8-6-16(17-11-28-24(26)29-12-17)10-19(20)32-23(34)22-21(33-14-27-13-30-33)9-7-18(31-22)15-4-5-15/h6-15H,4-5H2,1-3H3,(H2,26,28,29)
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n/an/a 13n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125966
PNG
(US8772304, 28)
Show SMILES Cc1ccc(-c2nc3cc(ccc3n2C(C)(C)C)-c2cnc(N)nc2)c(n1)-n1cncn1
Show InChI InChI=1S/C23H23N9/c1-14-5-7-17(20(29-14)31-13-25-12-28-31)21-30-18-9-15(16-10-26-22(24)27-11-16)6-8-19(18)32(21)23(2,3)4/h5-13H,1-4H3,(H2,24,26,27)
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n/an/a 17n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125958
PNG
(US8772304, 20)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cccnc1-n1cncn1
Show InChI InChI=1S/C22H21N9/c1-22(2,3)31-18-7-6-14(15-10-26-21(23)27-11-15)9-17(18)29-20(31)16-5-4-8-25-19(16)30-13-24-12-28-30/h4-13H,1-3H3,(H2,23,26,27)
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n/an/a 19n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125959
PNG
(US8772304, 21)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cc(F)cnc1-n1cncn1
Show InChI InChI=1S/C22H20FN9/c1-22(2,3)32-18-5-4-13(14-8-27-21(24)28-9-14)6-17(18)30-20(32)16-7-15(23)10-26-19(16)31-12-25-11-29-31/h4-12H,1-3H3,(H2,24,27,28)
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n/an/a 20n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125962
PNG
(US8772304, 24)
Show SMILES Cc1ncnn1-c1ncccc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show InChI InChI=1S/C23H23N9/c1-14-28-13-29-32(14)20-17(6-5-9-25-20)21-30-18-10-15(16-11-26-22(24)27-12-16)7-8-19(18)31(21)23(2,3)4/h5-13H,1-4H3,(H2,24,26,27)
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n/an/a 23n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125965
PNG
(US8772304, 27)
Show SMILES CCC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cc(Br)cnc1-n1cncn1
Show InChI InChI=1S/C23H22BrN9/c1-4-23(2,3)33-19-6-5-14(15-9-28-22(25)29-10-15)7-18(19)31-21(33)17-8-16(24)11-27-20(17)32-13-26-12-30-32/h5-13H,4H2,1-3H3,(H2,25,28,29)
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n/an/a 23n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125943
PNG
(US8772304, 5)
Show SMILES Cc1ncn(n1)-c1ccc(nc1-c1nc2cc(ccc2n1C1(C)CCC1)-c1cnc(N)nc1)C#N
Show InChI InChI=1S/C25H22N10/c1-15-30-14-34(33-15)21-7-5-18(11-26)31-22(21)23-32-19-10-16(17-12-28-24(27)29-13-17)4-6-20(19)35(23)25(2)8-3-9-25/h4-7,10,12-14H,3,8-9H2,1-2H3,(H2,27,28,29)
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n/an/a 29n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125971
PNG
(US8772304, 33)
Show SMILES CCOc1ncccc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show InChI InChI=1S/C22H24N6O/c1-5-29-20-16(7-6-10-24-20)19-27-17-11-14(15-12-25-21(23)26-13-15)8-9-18(17)28(19)22(2,3)4/h6-13H,5H2,1-4H3,(H2,23,25,26)
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n/an/a 34n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125949
PNG
(US8772304, 11)
Show SMILES COc1cccc(n1)-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show InChI InChI=1S/C21H22N6O/c1-21(2,3)27-17-9-8-13(14-11-23-20(22)24-12-14)10-16(17)26-19(27)15-6-5-7-18(25-15)28-4/h5-12H,1-4H3,(H2,22,23,24)
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n/an/a 46n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125951
PNG
(US8772304, 13)
Show SMILES CC(C)(C)Oc1cccc(n1)-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show InChI InChI=1S/C24H28N6O/c1-23(2,3)30-19-11-10-15(16-13-26-22(25)27-14-16)12-18(19)29-21(30)17-8-7-9-20(28-17)31-24(4,5)6/h7-14H,1-6H3,(H2,25,26,27)
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n/an/a 51n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125955
PNG
(US8772304, 17)
Show SMILES COc1cc(-c2nc3cc(ccc3n2C(C)(C)C)-c2cnc(N)nc2)c(F)cn1
Show InChI InChI=1S/C21H21FN6O/c1-21(2,3)28-17-6-5-12(13-9-25-20(23)26-10-13)7-16(17)27-19(28)14-8-18(29-4)24-11-15(14)22/h5-11H,1-4H3,(H2,23,25,26)
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n/an/a 58n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125944
PNG
(US8772304, 6)
Show SMILES Cc1ncnn1-c1ccc(nc1-c1nc2cc(ccc2n1C1(C)CCC1)-c1cnc(N)nc1)C#N
Show InChI InChI=1S/C25H22N10/c1-15-30-14-31-35(15)21-7-5-18(11-26)32-22(21)23-33-19-10-16(17-12-28-24(27)29-13-17)4-6-20(19)34(23)25(2)8-3-9-25/h4-7,10,12-14H,3,8-9H2,1-2H3,(H2,27,28,29)
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n/an/a 86n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125947
PNG
(US8772304, 9)
Show SMILES COC(=O)c1ccc(nc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1)C#N
Show InChI InChI=1S/C23H21N7O2/c1-23(2,3)30-18-8-5-13(14-11-26-22(25)27-12-14)9-17(18)29-20(30)19-16(21(31)32-4)7-6-15(10-24)28-19/h5-9,11-12H,1-4H3,(H2,25,26,27)
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n/an/a 110n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125948
PNG
(US8772304, 10)
Show SMILES CNC(=O)c1ccc(nc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1)C#N
Show InChI InChI=1S/C23H22N8O/c1-23(2,3)31-18-8-5-13(14-11-27-22(25)28-12-14)9-17(18)30-20(31)19-16(21(32)26-4)7-6-15(10-24)29-19/h5-9,11-12H,1-4H3,(H,26,32)(H2,25,27,28)
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n/an/a 138n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125968
PNG
(US8772304, 30)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C24H27N7O/c1-24(2,3)31-20-6-4-16(18-14-27-23(25)28-15-18)12-19(20)29-22(31)17-5-7-21(26-13-17)30-8-10-32-11-9-30/h4-7,12-15H,8-11H2,1-3H3,(H2,25,27,28)
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n/an/a 180n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125970
PNG
(US8772304, 32)
Show SMILES COc1ncccc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show InChI InChI=1S/C21H22N6O/c1-21(2,3)27-17-8-7-13(14-11-24-20(22)25-12-14)10-16(17)26-18(27)15-6-5-9-23-19(15)28-4/h5-12H,1-4H3,(H2,22,24,25)
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n/an/a 220n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125957
PNG
(US8772304, 19)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1ccnc(Br)c1
Show InChI InChI=1S/C20H19BrN6/c1-20(2,3)27-16-5-4-12(14-10-24-19(22)25-11-14)8-15(16)26-18(27)13-6-7-23-17(21)9-13/h4-11H,1-3H3,(H2,22,24,25)
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n/an/a 270n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125952
PNG
(US8772304, 14)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cccc(F)n1
Show InChI InChI=1S/C20H19FN6/c1-20(2,3)27-16-8-7-12(13-10-23-19(22)24-11-13)9-15(16)26-18(27)14-5-4-6-17(21)25-14/h4-11H,1-3H3,(H2,22,23,24)
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n/an/a 279n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125967
PNG
(US8772304, 29)
Show SMILES COc1cncc(c1)-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show InChI InChI=1S/C21H22N6O/c1-21(2,3)27-18-6-5-13(15-10-24-20(22)25-11-15)8-17(18)26-19(27)14-7-16(28-4)12-23-9-14/h5-12H,1-4H3,(H2,22,24,25)
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n/an/a 300n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125956
PNG
(US8772304, 18)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1ccncc1
Show InChI InChI=1S/C20H20N6/c1-20(2,3)26-17-5-4-14(15-11-23-19(21)24-12-15)10-16(17)25-18(26)13-6-8-22-9-7-13/h4-12H,1-3H3,(H2,21,23,24)
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n/an/a 450n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125945
PNG
(US8772304, 7)
Show SMILES COC(=O)c1cccnc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show InChI InChI=1S/C22H22N6O2/c1-22(2,3)28-17-8-7-13(14-11-25-21(23)26-12-14)10-16(17)27-19(28)18-15(20(29)30-4)6-5-9-24-18/h5-12H,1-4H3,(H2,23,25,26)
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n/an/a 540n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125969
PNG
(US8772304, 31)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cccnc1
Show InChI InChI=1S/C20H20N6/c1-20(2,3)26-17-7-6-13(15-11-23-19(21)24-12-15)9-16(17)25-18(26)14-5-4-8-22-10-14/h4-12H,1-3H3,(H2,21,23,24)
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n/an/a 542n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125946
PNG
(US8772304, 8)
Show SMILES CNC(=O)c1cccnc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show InChI InChI=1S/C22H23N7O/c1-22(2,3)29-17-8-7-13(14-11-26-21(23)27-12-14)10-16(17)28-19(29)18-15(20(30)24-4)6-5-9-25-18/h5-12H,1-4H3,(H,24,30)(H2,23,26,27)
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n/an/a 620n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125950
PNG
(US8772304, 12)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1ccccn1
Show InChI InChI=1S/C20H20N6/c1-20(2,3)26-17-8-7-13(14-11-23-19(21)24-12-14)10-16(17)25-18(26)15-6-4-5-9-22-15/h4-12H,1-3H3,(H2,21,23,24)
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n/an/a 700n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125953
PNG
(US8772304, 15)
Show SMILES CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(NCc2cccc(F)n2)nc1)-c1cccc(F)n1
Show InChI InChI=1S/C26H23F2N7/c1-26(2,3)35-21-11-10-16(12-20(21)34-24(35)19-7-5-9-23(28)33-19)17-13-29-25(30-14-17)31-15-18-6-4-8-22(27)32-18/h4-14H,15H2,1-3H3,(H,29,30,31)
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n/an/a 870n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM125954
PNG
(US8772304, 16)
Show SMILES COc1cccnc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show InChI InChI=1S/C21H22N6O/c1-21(2,3)27-16-8-7-13(14-11-24-20(22)25-12-14)10-15(16)26-19(27)18-17(28-4)6-5-9-23-18/h5-12H,1-4H3,(H2,22,24,25)
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n/an/a 960n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP in...


US Patent US8772304 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M4M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%