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Compile Data Set for Download or QSAR

Found 175 hits Enz. Inhib. hit(s) with all data for entry = 6024   
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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104552
PNG
(US8575201, 43)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C24H24N8O2/c25-23-28-11-16(12-29-23)19-4-3-17(13-26-19)24(7-1-8-24)22-30-21(34-31-22)15-2-5-20(27-10-15)32-9-6-18(33)14-32/h2-5,10-13,18,33H,1,6-9,14H2,(H2,25,28,29)/t18-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104623
PNG
(US8575201, 114)
Show SMILES CC(C)Nc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H24N8O/c1-14(2)29-19-7-4-15(10-26-19)20-30-21(31-32-20)23(8-3-9-23)17-5-6-18(25-13-17)16-11-27-22(24)28-12-16/h4-7,10-14H,3,8-9H2,1-2H3,(H,26,29)(H2,24,27,28)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104634
PNG
(US8575201, 125)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCNC(=O)C1
Show InChI InChI=1S/C24H23N9O2/c25-23-29-11-16(12-30-23)18-4-3-17(13-27-18)24(6-1-7-24)22-31-21(35-32-22)15-2-5-19(28-10-15)33-9-8-26-20(34)14-33/h2-5,10-13H,1,6-9,14H2,(H,26,34)(H2,25,29,30)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104527
PNG
(US8575201, 18)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(NCC2(O)CC2)nc1
Show InChI InChI=1S/C24H24N8O2/c25-22-28-11-16(12-29-22)18-4-3-17(13-26-18)24(6-1-7-24)21-31-20(34-32-21)15-2-5-19(27-10-15)30-14-23(33)8-9-23/h2-5,10-13,33H,1,6-9,14H2,(H,27,30)(H2,25,28,29)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104570
PNG
(US8575201, 61)
Show SMILES CN1CCN(CC1)c1cnc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H26N10O/c1-33-7-9-34(10-8-33)20-15-27-19(14-28-20)21-31-22(32-35-21)24(5-2-6-24)17-3-4-18(26-13-17)16-11-29-23(25)30-12-16/h3-4,11-15H,2,5-10H2,1H3,(H2,25,29,30)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104624
PNG
(US8575201, 115)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(NCCO)nc1
Show InChI InChI=1S/C22H22N8O2/c23-21-27-11-15(12-28-21)17-4-3-16(13-25-17)22(6-1-7-22)20-29-19(32-30-20)14-2-5-18(26-10-14)24-8-9-31/h2-5,10-13,31H,1,6-9H2,(H,24,26)(H2,23,27,28)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104540
PNG
(US8575201, 31)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)-n1ccnc1
Show InChI InChI=1S/C23H19N9O/c24-22-28-11-16(12-29-22)18-4-3-17(13-26-18)23(6-1-7-23)21-30-20(33-31-21)15-2-5-19(27-10-15)32-9-8-25-14-32/h2-5,8-14H,1,6-7H2,(H2,24,28,29)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104517
PNG
(US8575201, 8)
Show SMILES CCNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H22N8O/c1-2-24-18-7-4-14(10-26-18)19-29-20(30-31-19)22(8-3-9-22)16-5-6-17(25-13-16)15-11-27-21(23)28-12-15/h4-7,10-13H,2-3,8-9H2,1H3,(H,24,26)(H2,23,27,28)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104521
PNG
(US8575201, 12)
Show SMILES CC(C)(O)CNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H26N8O2/c1-23(2,33)14-30-19-7-4-15(10-27-19)20-31-21(32-34-20)24(8-3-9-24)17-5-6-18(26-13-17)16-11-28-22(25)29-12-16/h4-7,10-13,33H,3,8-9,14H2,1-2H3,(H,27,30)(H2,25,28,29)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104557
PNG
(US8575201, 48)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C24H24N8O2/c25-23-28-11-16(12-29-23)19-4-3-17(13-26-19)24(7-1-8-24)22-30-21(34-31-22)15-2-5-20(27-10-15)32-9-6-18(33)14-32/h2-5,10-13,18,33H,1,6-9,14H2,(H2,25,28,29)/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104542
PNG
(US8575201, 33)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(NC(CO)CO)nc1
Show InChI InChI=1S/C23H24N8O3/c24-22-27-9-15(10-28-22)18-4-3-16(11-25-18)23(6-1-7-23)21-30-20(34-31-21)14-2-5-19(26-8-14)29-17(12-32)13-33/h2-5,8-11,17,32-33H,1,6-7,12-13H2,(H,26,29)(H2,24,27,28)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104622
PNG
(US8575201, 113)
Show SMILES CNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H20N8O/c1-23-17-6-3-13(9-25-17)18-28-19(29-30-18)21(7-2-8-21)15-4-5-16(24-12-15)14-10-26-20(22)27-11-14/h3-6,9-12H,2,7-8H2,1H3,(H,23,25)(H2,22,26,27)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104619
PNG
(US8575201, 110)
Show SMILES CN(C)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H22N8O/c1-30(2)18-7-4-14(10-25-18)19-28-20(29-31-19)22(8-3-9-22)16-5-6-17(24-13-16)15-11-26-21(23)27-12-15/h4-7,10-13H,3,8-9H2,1-2H3,(H2,23,26,27)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104566
PNG
(US8575201, 57)
Show SMILES CCNc1cnc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H21N9O/c1-2-23-17-12-25-16(11-26-17)18-29-19(30-31-18)21(6-3-7-21)14-4-5-15(24-10-14)13-8-27-20(22)28-9-13/h4-5,8-12H,2-3,6-7H2,1H3,(H,23,26)(H2,22,27,28)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104555
PNG
(US8575201, 46)
Show SMILES C[C@H](O)CNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C23H24N8O2/c1-14(32)9-26-19-6-3-15(10-27-19)20-30-21(31-33-20)23(7-2-8-23)17-4-5-18(25-13-17)16-11-28-22(24)29-12-16/h3-6,10-14,32H,2,7-9H2,1H3,(H,26,27)(H2,24,28,29)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104531
PNG
(US8575201, 22)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(OCCO)nc1
Show InChI InChI=1S/C22H21N7O3/c23-21-26-11-15(12-27-21)17-4-3-16(13-24-17)22(6-1-7-22)20-28-19(32-29-20)14-2-5-18(25-10-14)31-9-8-30/h2-5,10-13,30H,1,6-9H2,(H2,23,26,27)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104562
PNG
(US8575201, 53)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCN(CCC(O)=O)CC1
Show InChI InChI=1S/C27H29N9O3/c28-26-31-15-19(16-32-26)21-4-3-20(17-29-21)27(7-1-8-27)25-33-24(39-34-25)18-2-5-22(30-14-18)36-12-10-35(11-13-36)9-6-23(37)38/h2-5,14-17H,1,6-13H2,(H,37,38)(H2,28,31,32)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104571
PNG
(US8575201, 62)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H26N8O/c26-24-29-14-18(15-30-24)21-7-4-19(16-28-21)25(8-1-9-25)23-31-22(34-32-23)17-2-5-20(6-3-17)33-12-10-27-11-13-33/h2-7,14-16,27H,1,8-13H2,(H2,26,29,30)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104530
PNG
(US8575201, 21)
Show SMILES CC(C)(CO)Nc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H26N8O2/c1-23(2,14-33)31-19-7-4-15(10-27-19)20-30-21(32-34-20)24(8-3-9-24)17-5-6-18(26-13-17)16-11-28-22(25)29-12-16/h4-7,10-13,33H,3,8-9,14H2,1-2H3,(H,27,31)(H2,25,28,29)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104561
PNG
(US8575201, 52)
Show SMILES CS(=O)(=O)C1CCN(C1)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C25H26N8O3S/c1-37(34,35)19-7-10-33(15-19)21-6-3-16(11-28-21)22-31-23(32-36-22)25(8-2-9-25)18-4-5-20(27-14-18)17-12-29-24(26)30-13-17/h3-6,11-14,19H,2,7-10,15H2,1H3,(H2,26,29,30)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104553
PNG
(US8575201, 44)
Show SMILES C[C@@H](O)CNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C23H24N8O2/c1-14(32)9-26-19-6-3-15(10-27-19)20-30-21(31-33-20)23(7-2-8-23)17-4-5-18(25-13-17)16-11-28-22(24)29-12-16/h3-6,10-14,32H,2,7-9H2,1H3,(H,26,27)(H2,24,28,29)/t14-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104559
PNG
(US8575201, 50)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C25H27N9O3S/c1-38(35,36)34-11-9-33(10-12-34)21-6-3-17(13-28-21)22-31-23(32-37-22)25(7-2-8-25)19-4-5-20(27-16-19)18-14-29-24(26)30-15-18/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104512
PNG
(US8575201, 3)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C24H25N9O/c25-23-29-13-17(14-30-23)19-4-3-18(15-27-19)24(6-1-7-24)22-31-21(34-32-22)16-2-5-20(28-12-16)33-10-8-26-9-11-33/h2-5,12-15,26H,1,6-11H2,(H2,25,29,30)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104598
PNG
(US8575201, 89)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C24H24N8O2/c25-23-28-13-17(14-29-23)19-4-3-18(15-26-19)24(6-1-7-24)22-30-21(34-31-22)16-2-5-20(27-12-16)32-8-10-33-11-9-32/h2-5,12-15H,1,6-11H2,(H2,25,28,29)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104627
PNG
(US8575201, 118)
Show SMILES COCCNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H24N8O2/c1-32-10-9-25-19-6-3-15(11-27-19)20-30-21(31-33-20)23(7-2-8-23)17-4-5-18(26-14-17)16-12-28-22(24)29-13-16/h3-6,11-14H,2,7-10H2,1H3,(H,25,27)(H2,24,28,29)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104541
PNG
(US8575201, 32)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H18N6O2/c22-20-24-10-14(11-25-20)17-7-4-15(12-23-17)21(8-1-9-21)19-26-18(29-27-19)13-2-5-16(28)6-3-13/h2-7,10-12,28H,1,8-9H2,(H2,22,24,25)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104518
PNG
(US8575201, 9)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(NC2CC2)nc1
Show InChI InChI=1S/C23H22N8O/c24-22-27-11-15(12-28-22)18-6-3-16(13-25-18)23(8-1-9-23)21-30-20(32-31-21)14-2-7-19(26-10-14)29-17-4-5-17/h2-3,6-7,10-13,17H,1,4-5,8-9H2,(H,26,29)(H2,24,27,28)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104626
PNG
(US8575201, 117)
Show SMILES COCCN(C)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H26N8O2/c1-32(10-11-33-2)20-7-4-16(12-27-20)21-30-22(31-34-21)24(8-3-9-24)18-5-6-19(26-15-18)17-13-28-23(25)29-14-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,25,28,29)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104554
PNG
(US8575201, 45)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCC[C@@H]1CO |r|
Show InChI InChI=1S/C25H26N8O2/c26-24-29-12-17(13-30-24)20-6-5-18(14-27-20)25(8-2-9-25)23-31-22(35-32-23)16-4-7-21(28-11-16)33-10-1-3-19(33)15-34/h4-7,11-14,19,34H,1-3,8-10,15H2,(H2,26,29,30)/t19-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104547
PNG
(US8575201, 38)
Show SMILES COC(=O)[C@H]1CNCCN1c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C26H27N9O3/c1-37-23(36)20-15-28-9-10-35(20)21-6-3-16(11-30-21)22-33-24(34-38-22)26(7-2-8-26)18-4-5-19(29-14-18)17-12-31-25(27)32-13-17/h3-6,11-14,20,28H,2,7-10,15H2,1H3,(H2,27,31,32)/t20-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104565
PNG
(US8575201, 56)
Show SMILES COCCNc1cnc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H23N9O2/c1-32-8-7-24-18-13-26-17(12-27-18)19-30-20(31-33-19)22(5-2-6-22)15-3-4-16(25-11-15)14-9-28-21(23)29-10-14/h3-4,9-13H,2,5-8H2,1H3,(H,24,27)(H2,23,28,29)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104621
PNG
(US8575201, 112)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCCC1
Show InChI InChI=1S/C24H24N8O/c25-23-28-13-17(14-29-23)19-6-5-18(15-26-19)24(8-3-9-24)22-30-21(33-31-22)16-4-7-20(27-12-16)32-10-1-2-11-32/h4-7,12-15H,1-3,8-11H2,(H2,25,28,29)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104549
PNG
(US8575201, 40)
Show SMILES COC(=O)[C@H]1CN(CCN1)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C26H27N9O3/c1-37-23(36)20-15-35(10-9-28-20)21-6-3-16(11-30-21)22-33-24(34-38-22)26(7-2-8-26)18-4-5-19(29-14-18)17-12-31-25(27)32-13-17/h3-6,11-14,20,28H,2,7-10,15H2,1H3,(H2,27,31,32)/t20-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104556
PNG
(US8575201, 47)
Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C29H33N9O3/c1-2-40-25(39)8-11-37-12-14-38(15-13-37)24-7-4-20(16-32-24)26-35-27(36-41-26)29(9-3-10-29)22-5-6-23(31-19-22)21-17-33-28(30)34-18-21/h4-7,16-19H,2-3,8-15H2,1H3,(H2,30,33,34)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104558
PNG
(US8575201, 49)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C24H24N8O3S/c25-23-28-13-17(14-29-23)19-4-3-18(15-26-19)24(6-1-7-24)22-30-21(35-31-22)16-2-5-20(27-12-16)32-8-10-36(33,34)11-9-32/h2-5,12-15H,1,6-11H2,(H2,25,28,29)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104548
PNG
(US8575201, 39)
Show SMILES COC(=O)[C@@H]1CN(CCN1)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C26H27N9O3/c1-37-23(36)20-15-35(10-9-28-20)21-6-3-16(11-30-21)22-33-24(34-38-22)26(7-2-8-26)18-4-5-19(29-14-18)17-12-31-25(27)32-13-17/h3-6,11-14,20,28H,2,7-10,15H2,1H3,(H2,27,31,32)/t20-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104687
PNG
(US8575201, 1)
Show SMILES CC(C)(C)CC(=O)N1CCN(CC1)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C30H35N9O2/c1-29(2,3)15-25(40)39-13-11-38(12-14-39)24-8-5-20(16-33-24)26-36-27(37-41-26)30(9-4-10-30)22-6-7-23(32-19-22)21-17-34-28(31)35-18-21/h5-8,16-19H,4,9-15H2,1-3H3,(H2,31,34,35)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104522
PNG
(US8575201, 13)
Show SMILES CCOC(=O)CNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H24N8O3/c1-2-34-20(33)14-28-19-7-4-15(10-27-19)21-31-22(32-35-21)24(8-3-9-24)17-5-6-18(26-13-17)16-11-29-23(25)30-12-16/h4-7,10-13H,2-3,8-9,14H2,1H3,(H,27,28)(H2,25,29,30)
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n/an/a 3.90n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104534
PNG
(US8575201, 25)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1cnn2cccnc12
Show InChI InChI=1S/C21H17N9O/c22-20-25-9-13(10-26-20)16-4-3-14(11-24-16)21(5-1-6-21)19-28-18(31-29-19)15-12-27-30-8-2-7-23-17(15)30/h2-4,7-12H,1,5-6H2,(H2,22,25,26)
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104588
PNG
(US8575201, 79)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H18N8O/c23-21-25-9-15(10-26-21)17-5-3-16(12-24-17)22(6-1-7-22)20-28-19(31-30-20)13-2-4-18-14(8-13)11-27-29-18/h2-5,8-12H,1,6-7H2,(H,27,29)(H2,23,25,26)
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104593
PNG
(US8575201, 84)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1cccnc1Cl
Show InChI InChI=1S/C20H16ClN7O/c21-16-14(3-1-8-23-16)17-27-18(28-29-17)20(6-2-7-20)13-4-5-15(24-11-13)12-9-25-19(22)26-10-12/h1,3-5,8-11H,2,6-7H2,(H2,22,25,26)
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n/an/a 4.10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104620
PNG
(US8575201, 111)
Show SMILES Nc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H18N8O/c21-16-5-2-12(8-24-16)17-27-18(28-29-17)20(6-1-7-20)14-3-4-15(23-11-14)13-9-25-19(22)26-10-13/h2-5,8-11H,1,6-7H2,(H2,21,24)(H2,22,25,26)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104625
PNG
(US8575201, 116)
Show SMILES CN(CCO)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H24N8O2/c1-31(9-10-32)19-6-3-15(11-26-19)20-29-21(30-33-20)23(7-2-8-23)17-4-5-18(25-14-17)16-12-27-22(24)28-13-16/h3-6,11-14,32H,2,7-10H2,1H3,(H2,24,27,28)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104583
PNG
(US8575201, 74)
Show SMILES Cc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H19N7O/c1-13-3-4-14(9-23-13)18-27-19(28-29-18)21(7-2-8-21)16-5-6-17(24-12-16)15-10-25-20(22)26-11-15/h3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26)
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n/an/a 4.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM41570
PNG
(US8575201, 135 | US8575201, 78)
Show SMILES Cc1n[nH]cc1-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H23N5O2/c1-17-13-22(27-31-17)24(30)29-10-4-9-28(11-12-29)23-15-21(25-16-26-23)20-8-7-18-5-2-3-6-19(18)14-20/h2-3,5-8,13-16H,4,9-12H2,1H3
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n/an/a 4.70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104560
PNG
(US8575201, 51)
Show SMILES CS(=O)(=O)CCNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H24N8O3S/c1-35(32,33)10-9-25-19-6-3-15(11-27-19)20-30-21(31-34-20)23(7-2-8-23)17-4-5-18(26-14-17)16-12-28-22(24)29-13-16/h3-6,11-14H,2,7-10H2,1H3,(H,25,27)(H2,24,28,29)
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n/an/a 4.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104511
PNG
(US8575201, 2)
Show SMILES NC(=O)CNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H21N9O2/c23-17(32)12-27-18-5-2-13(8-26-18)19-30-20(31-33-19)22(6-1-7-22)15-3-4-16(25-11-15)14-9-28-21(24)29-10-14/h2-5,8-11H,1,6-7,12H2,(H2,23,32)(H,26,27)(H2,24,28,29)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104589
PNG
(US8575201, 80)
Show SMILES Cc1cc([nH]n1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H18N8O/c1-11-7-15(26-25-11)16-24-17(27-28-16)19(5-2-6-19)13-3-4-14(21-10-13)12-8-22-18(20)23-9-12/h3-4,7-10H,2,5-6H2,1H3,(H,25,26)(H2,20,22,23)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104515
PNG
(US8575201, 6)
Show SMILES Cc1ccc(cc1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H20N6O/c1-14-3-5-15(6-4-14)19-27-20(28-29-19)22(9-2-10-22)17-7-8-18(24-13-17)16-11-25-21(23)26-12-16/h3-8,11-13H,2,9-10H2,1H3,(H2,23,25,26)
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM104545
PNG
(US8575201, 36)
Show SMILES COC(=O)[C@@H]1CCCN1c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C26H26N8O3/c1-36-23(35)20-4-2-11-34(20)21-8-5-16(12-29-21)22-32-24(33-37-22)26(9-3-10-26)18-6-7-19(28-15-18)17-13-30-25(27)31-14-17/h5-8,12-15,20H,2-4,9-11H2,1H3,(H2,27,30,31)/t20-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


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


US Patent US8575201 (2013)


BindingDB Entry DOI: 10.7270/Q2ZK5FBX
More data for this
Ligand-Target Pair
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