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Compile Data Set for Download or QSAR

Found 678 hits with Last Name = 'bartolozzi' and Initial = 'a'   
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))
BDBM50262004
PNG
(CHEMBL4088763)
Show SMILES CN(C(=O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1)C(C)(C)C
Show InChI InChI=1S/C26H30N8O2/c1-25(2,3)33(4)21(35)16-34-15-19(14-30-34)22-31-23(32-36-22)26(10-5-11-26)20-8-6-17(7-9-20)18-12-28-24(27)29-13-18/h6-9,12-15H,5,10-11,16H2,1-4H3,(H2,27,28,29)
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n/an/a 1n/an/an/an/an/an/a



Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com.

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method


Bioorg Med Chem Lett 27: 4652-4659 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.007
BindingDB Entry DOI: 10.7270/Q2HQ42CS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50262010
PNG
(CHEMBL4080876)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnn(CCC#N)c1
Show InChI InChI=1S/C22H20N8O/c23-9-2-10-30-14-17(13-27-30)19-28-20(29-31-19)22(7-1-8-22)18-5-3-15(4-6-18)16-11-25-21(24)26-12-16/h3-6,11-14H,1-2,7-8,10H2,(H2,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com.

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method


Bioorg Med Chem Lett 27: 4652-4659 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.007
BindingDB Entry DOI: 10.7270/Q2HQ42CS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078118
PNG
(CHEMBL3417524)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1ccc(N)nc1 |r|
Show InChI InChI=1S/C25H27N7O2/c1-25(20-9-10-20,19-7-4-16(5-8-19)17-6-11-21(26)27-12-17)24-29-23(34-30-24)18-13-28-32(14-18)15-22(33)31(2)3/h4-8,11-14,20H,9-10,15H2,1-3H3,(H2,26,27)/t25-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 1.20n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078123
PNG
(CHEMBL3417526)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)cn1 |r|
Show InChI InChI=1S/C24H26N8O2/c1-24(18-8-9-18,17-6-4-15(5-7-17)19-11-27-20(25)12-26-19)23-29-22(34-30-23)16-10-28-32(13-16)14-21(33)31(2)3/h4-7,10-13,18H,8-9,14H2,1-3H3,(H2,25,27)/t24-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078080
PNG
(CHEMBL3417520)
Show SMILES Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H21N7O/c1-21(17-7-8-17,19-26-18(29-27-19)15-11-25-28(2)12-15)16-5-3-13(4-6-16)14-9-23-20(22)24-10-14/h3-6,9-12,17H,7-8H2,1-2H3,(H2,22,23,24)/t21-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078053
PNG
(CHEMBL3417414)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C22H19N5O/c23-21-24-13-17(14-25-21)15-7-9-18(10-8-15)22(11-4-12-22)20-26-19(28-27-20)16-5-2-1-3-6-16/h1-3,5-10,13-14H,4,11-12H2,(H2,23,24,25)
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n/an/a 1.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 1.5n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50261945
PNG
(CHEMBL4088331)
Show SMILES C[C@](C1CC1)(c1noc(n1)-c1cnn(c1)C1COC1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C22H22N8O2/c1-22(15-2-3-15,16-4-5-18(24-9-16)13-6-25-21(23)26-7-13)20-28-19(32-29-20)14-8-27-30(10-14)17-11-31-12-17/h4-10,15,17H,2-3,11-12H2,1H3,(H2,23,25,26)/t22-/m1/s1
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Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com.

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method


Bioorg Med Chem Lett 27: 4652-4659 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.007
BindingDB Entry DOI: 10.7270/Q2HQ42CS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078078
PNG
(CHEMBL3417518)
Show SMILES CC(C)[C@@](C)(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H23N7O/c1-13(2)21(3,19-26-18(29-27-19)16-11-25-28(4)12-16)17-7-5-14(6-8-17)15-9-23-20(22)24-10-15/h5-13H,1-4H3,(H2,22,23,24)/t21-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078119
PNG
(CHEMBL3417525)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 1.80n/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
Arachidonate 5-lipoxygenase-activating protein


(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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 1.80n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078035
PNG
(CHEMBL3417429)
Show SMILES Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H19N7O/c1-27-12-15(11-24-27)17-25-18(26-28-17)20(7-2-8-20)16-5-3-13(4-6-16)14-9-22-19(21)23-10-14/h3-6,9-12H,2,7-8H2,1H3,(H2,21,22,23)
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n/an/a 1.90n/an/an/an/an/an/a



Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com.

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method


Bioorg Med Chem Lett 27: 4652-4659 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.007
BindingDB Entry DOI: 10.7270/Q2HQ42CS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078035
PNG
(CHEMBL3417429)
Show SMILES Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H19N7O/c1-27-12-15(11-24-27)17-25-18(26-28-17)20(7-2-8-20)16-5-3-13(4-6-16)14-9-22-19(21)23-10-14/h3-6,9-12H,2,7-8H2,1H3,(H2,21,22,23)
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n/an/a 1.90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50262000
PNG
(CHEMBL4071532)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnn(c1)C1COC1
Show InChI InChI=1S/C22H21N7O2/c23-21-24-8-15(9-25-21)14-2-4-17(5-3-14)22(6-1-7-22)20-27-19(31-28-20)16-10-26-29(11-16)18-12-30-13-18/h2-5,8-11,18H,1,6-7,12-13H2,(H2,23,24,25)
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n/an/a 1.90n/an/an/an/an/an/a



Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com.

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method


Bioorg Med Chem Lett 27: 4652-4659 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.007
BindingDB Entry DOI: 10.7270/Q2HQ42CS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 1.90n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078077
PNG
(CHEMBL3417517)
Show SMILES CC(C)C(C)(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H23N7O/c1-13(2)21(3,19-26-18(29-27-19)16-11-25-28(4)12-16)17-7-5-14(6-8-17)15-9-23-20(22)24-10-15/h5-13H,1-4H3,(H2,22,23,24)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.10n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078146
PNG
(CHEMBL3417531)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-23(2,32)14-31-13-17(12-28-31)20-29-21(30-33-20)24(3,19-8-9-19)18-6-4-15(5-7-18)16-10-26-22(25)27-11-16/h4-7,10-13,19,32H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078052
PNG
(CHEMBL3417415)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cccnc1
Show InChI InChI=1S/C21H18N6O/c22-20-24-12-16(13-25-20)14-4-6-17(7-5-14)21(8-2-9-21)19-26-18(28-27-19)15-3-1-10-23-11-15/h1,3-7,10-13H,2,8-9H2,(H2,22,24,25)
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n/an/a 2.20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.20n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.20n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078036
PNG
(CHEMBL3417428)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N7O/c20-18-21-8-13(9-22-18)12-2-4-15(5-3-12)19(6-1-7-19)17-25-16(27-26-17)14-10-23-24-11-14/h2-5,8-11H,1,6-7H2,(H,23,24)(H2,20,21,22)
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n/an/a 2.30n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.40n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.40n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078033
PNG
(CHEMBL3417431)
Show SMILES COCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H23N7O2/c1-30-10-9-29-14-17(13-26-29)19-27-20(28-31-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16/h3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25)
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n/an/a 2.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078038
PNG
(CHEMBL3417427)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cc[nH]n1
Show InChI InChI=1S/C19H17N7O/c20-18-21-10-13(11-22-18)12-2-4-14(5-3-12)19(7-1-8-19)17-24-16(27-26-17)15-6-9-23-25-15/h2-6,9-11H,1,7-8H2,(H,23,25)(H2,20,21,22)
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n/an/a 2.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.40n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50261982
PNG
(CHEMBL4094923)
Show SMILES Cc1cc([nH]n1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H19N7O/c1-12-9-16(26-25-12)17-24-18(27-28-17)20(7-2-8-20)15-5-3-13(4-6-15)14-10-22-19(21)23-11-14/h3-6,9-11H,2,7-8H2,1H3,(H,25,26)(H2,21,22,23)
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Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com.

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method


Bioorg Med Chem Lett 27: 4652-4659 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.007
BindingDB Entry DOI: 10.7270/Q2HQ42CS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078040
PNG
(CHEMBL3417425)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cscn1
Show InChI InChI=1S/C19H16N6OS/c20-18-21-8-13(9-22-18)12-2-4-14(5-3-12)19(6-1-7-19)17-24-16(26-25-17)15-10-27-11-23-15/h2-5,8-11H,1,6-7H2,(H2,20,21,22)
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n/an/a 2.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078033
PNG
(CHEMBL3417431)
Show SMILES COCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H23N7O2/c1-30-10-9-29-14-17(13-26-29)19-27-20(28-31-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16/h3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25)
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Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com.

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method


Bioorg Med Chem Lett 27: 4652-4659 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.007
BindingDB Entry DOI: 10.7270/Q2HQ42CS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.5n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078043
PNG
(CHEMBL3417422)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1c[nH]cn1
Show InChI InChI=1S/C19H17N7O/c20-18-22-8-13(9-23-18)12-2-4-14(5-3-12)19(6-1-7-19)17-25-16(27-26-17)15-10-21-11-24-15/h2-5,8-11H,1,6-7H2,(H,21,24)(H2,20,22,23)
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n/an/a 2.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.60n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.60n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.60n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.60n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078115
PNG
(CHEMBL3417522)
Show SMILES Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CCC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C22H23N7O/c1-22(17-4-3-5-17,20-27-19(30-28-20)16-12-26-29(2)13-16)18-8-6-14(7-9-18)15-10-24-21(23)25-11-15/h6-13,17H,3-5H2,1-2H3,(H2,23,24,25)/t22-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078031
PNG
(CHEMBL3417508)
Show SMILES NCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H22N8O/c22-8-9-29-13-16(12-26-29)18-27-19(28-30-18)21(6-1-7-21)17-4-2-14(3-5-17)15-10-24-20(23)25-11-15/h2-5,10-13H,1,6-9,22H2,(H2,23,24,25)
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n/an/a 2.60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.70n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.70n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.70n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.70n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.80n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 2.90n/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
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