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Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with all data for entry = 50000858   
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))
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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n/an/a 1.5n/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



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))
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))
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



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))
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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n/an/a 2.40n/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))
BDBM50261985
PNG
(CHEMBL4072041)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C23H25N9O2/c1-23(16-4-5-16,17-6-7-18(25-11-17)14-8-26-22(24)27-9-14)21-29-20(34-30-21)15-10-28-32(12-15)13-19(33)31(2)3/h6-12,16H,4-5,13H2,1-3H3,(H2,24,26,27)/t23-/m1/s1
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n/an/a 2.90n/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))
BDBM50261946
PNG
(CHEMBL4080469)
Show SMILES Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C20H20N8O/c1-20(14-3-4-14,18-26-17(29-27-18)13-9-25-28(2)11-13)15-5-6-16(22-10-15)12-7-23-19(21)24-8-12/h5-11,14H,3-4H2,1-2H3,(H2,21,23,24)/t20-/m1/s1
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n/an/a 3n/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))
BDBM50261928
PNG
(CHEMBL4080822)
Show SMILES CC(C)[C@@](C)(c1noc(n1)N1CCC(C)(O)CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C23H30N6O2/c1-15(2)23(4,18-7-5-16(6-8-18)17-13-25-20(24)26-14-17)19-27-21(31-28-19)29-11-9-22(3,30)10-12-29/h5-8,13-15,30H,9-12H2,1-4H3,(H2,24,25,26)/t23-/m1/s1
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n/an/a 3.10n/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))
BDBM50078060
PNG
(CHEMBL3417511)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H25N7O2/c1-22(2,31)14-30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16/h4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26)
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n/an/a 3.5n/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))
BDBM50262005
PNG
(CHEMBL4092404)
Show SMILES CC(C)(C)NC(=O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C25H28N8O2/c1-24(2,3)31-20(34)15-33-14-18(13-29-33)21-30-22(32-35-21)25(9-4-10-25)19-7-5-16(6-8-19)17-11-27-23(26)28-12-17/h5-8,11-14H,4,9-10,15H2,1-3H3,(H,31,34)(H2,26,27,28)
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n/an/a 3.70n/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))
BDBM50262021
PNG
(CHEMBL4103286)
Show SMILES CC(C)(CO)n1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H25N7O2/c1-22(2,14-31)30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16/h4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26)
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n/an/a 4n/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))
BDBM50261930
PNG
(CHEMBL4081751)
Show SMILES C[C@](C1CC1)(c1noc(n1)N1CCC(O)CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C22H26N6O2/c1-22(17-6-7-17,19-26-21(30-27-19)28-10-8-18(29)9-11-28)16-4-2-14(3-5-16)15-12-24-20(23)25-13-15/h2-5,12-13,17-18,29H,6-11H2,1H3,(H2,23,24,25)/t22-/m0/s1
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n/an/a 5.20n/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))
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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n/an/a 5.5n/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))
BDBM50261929
PNG
(CHEMBL4105047)
Show SMILES C[C@](C1CC1)(c1noc(n1)N1CCC(C)(O)CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C23H28N6O2/c1-22(30)9-11-29(12-10-22)21-27-19(28-31-21)23(2,18-7-8-18)17-5-3-15(4-6-17)16-13-25-20(24)26-14-16/h3-6,13-14,18,30H,7-12H2,1-2H3,(H2,24,25,26)/t23-/m0/s1
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n/an/a 5.60n/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))
BDBM50261958
PNG
(CHEMBL4096057)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C23H26N8O2/c1-22(2,32)13-31-12-15(10-28-31)19-29-20(30-33-19)23(3,16-4-5-16)17-6-7-18(25-11-17)14-8-26-21(24)27-9-14/h6-12,16,32H,4-5,13H2,1-3H3,(H2,24,26,27)/t23-/m1/s1
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n/an/a 6.30n/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))
BDBM50261999
PNG
(CHEMBL4074281)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)N1CCCCC1
Show InChI InChI=1S/C21H24N6O/c22-19-23-13-16(14-24-19)15-5-7-17(8-6-15)21(9-4-10-21)18-25-20(28-26-18)27-11-2-1-3-12-27/h5-8,13-14H,1-4,9-12H2,(H2,22,23,24)
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n/an/a 6.5n/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))
BDBM50261984
PNG
(CHEMBL4098484)
Show SMILES CC(C)[C@@](C)(c1noc(n1)-c1cnn(c1)C1COC1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C22H24N8O2/c1-13(2)22(3,16-4-5-18(24-9-16)14-6-25-21(23)26-7-14)20-28-19(32-29-20)15-8-27-30(10-15)17-11-31-12-17/h4-10,13,17H,11-12H2,1-3H3,(H2,23,25,26)/t22-/m1/s1
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n/an/a 6.60n/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))
BDBM50261996
PNG
(CHEMBL4099770)
Show SMILES CC(C)[C@@](C)(c1noc(n1)N1CCC(O)CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C22H28N6O2/c1-14(2)22(3,19-26-21(30-27-19)28-10-8-18(29)9-11-28)17-6-4-15(5-7-17)16-12-24-20(23)25-13-16/h4-7,12-14,18,29H,8-11H2,1-3H3,(H2,23,24,25)/t22-/m1/s1
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n/an/a 7.30n/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))
BDBM50261957
PNG
(CHEMBL4103813)
Show SMILES C[C@](C1CC1)(c1noc(n1)-c1cnn(CC#N)c1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H19N9O/c1-21(15-2-3-15,16-4-5-17(24-11-16)13-8-25-20(23)26-9-13)19-28-18(31-29-19)14-10-27-30(12-14)7-6-22/h4-5,8-12,15H,2-3,7H2,1H3,(H2,23,25,26)/t21-/m1/s1
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n/an/a 8.10n/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))
BDBM50261888
PNG
(CHEMBL4101030)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)N1CCCC1
Show InChI InChI=1S/C20H22N6O/c21-18-22-12-15(13-23-18)14-4-6-16(7-5-14)20(8-3-9-20)17-24-19(27-25-17)26-10-1-2-11-26/h4-7,12-13H,1-3,8-11H2,(H2,21,22,23)
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n/an/a 8.30n/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))
BDBM104572
PNG
(US8575201, 63)
Show SMILES CCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H20N8O/c1-2-28-12-14(10-25-28)17-26-18(27-29-17)20(6-3-7-20)15-4-5-16(22-11-15)13-8-23-19(21)24-9-13/h4-5,8-12H,2-3,6-7H2,1H3,(H2,21,23,24)
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n/an/a 8.80n/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))
BDBM50262003
PNG
(CHEMBL4091165)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1cnn(CCC#N)c1
Show InChI InChI=1S/C21H19N9O/c22-7-2-8-30-13-15(11-27-30)18-28-19(29-31-18)21(5-1-6-21)16-3-4-17(24-12-16)14-9-25-20(23)26-10-14/h3-4,9-13H,1-2,5-6,8H2,(H2,23,25,26)
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n/an/a 11n/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))
BDBM50261986
PNG
(CHEMBL4059620)
Show SMILES CN(C)C(=O)N1CCN(CC1)c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C24H30N8O2/c1-24(19-8-9-19,18-6-4-16(5-7-18)17-14-26-21(25)27-15-17)20-28-22(34-29-20)31-10-12-32(13-11-31)23(33)30(2)3/h4-7,14-15,19H,8-13H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a 12n/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))
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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n/an/a 12n/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
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin ...


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))
BDBM104564
PNG
(US8575201, 55)
Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1cnn(c1)C1COC1
Show InChI InChI=1S/C21H20N8O2/c22-20-24-6-13(7-25-20)17-3-2-15(9-23-17)21(4-1-5-21)19-27-18(31-28-19)14-8-26-29(10-14)16-11-30-12-16/h2-3,6-10,16H,1,4-5,11-12H2,(H2,22,24,25)
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n/an/a 13n/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))
BDBM50261929
PNG
(CHEMBL4105047)
Show SMILES C[C@](C1CC1)(c1noc(n1)N1CCC(C)(O)CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C23H28N6O2/c1-22(30)9-11-29(12-10-22)21-27-19(28-31-21)23(2,18-7-8-18)17-5-3-15(4-6-17)16-13-25-20(24)26-14-16/h3-6,13-14,18,30H,7-12H2,1-2H3,(H2,24,25,26)/t23-/m0/s1
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n/an/a 13n/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
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin ...


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))
BDBM104611
PNG
(US8575201, 102)
Show SMILES Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H18N8O/c1-27-11-13(9-24-27)16-25-17(26-28-16)19(5-2-6-19)14-3-4-15(21-10-14)12-7-22-18(20)23-8-12/h3-4,7-11H,2,5-6H2,1H3,(H2,20,22,23)
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n/an/a 13n/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))
BDBM50261981
PNG
(CHEMBL4072498)
Show SMILES CC(C)[C@@](C)(c1noc(n1)-c1cnn(CC(C)(C)O)c1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C23H28N8O2/c1-14(2)23(5,17-6-7-18(25-11-17)15-8-26-21(24)27-9-15)20-29-19(33-30-20)16-10-28-31(12-16)13-22(3,4)32/h6-12,14,32H,13H2,1-5H3,(H2,24,26,27)/t23-/m1/s1
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n/an/a 13n/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))
BDBM104652
PNG
(US8575201, 143)
Show SMILES CN(C(=O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1)C(C)(C)C
Show InChI InChI=1S/C25H29N9O2/c1-24(2,3)33(4)20(35)15-34-14-17(12-30-34)21-31-22(32-36-21)25(8-5-9-25)18-6-7-19(27-13-18)16-10-28-23(26)29-11-16/h6-7,10-14H,5,8-9,15H2,1-4H3,(H2,26,28,29)
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n/an/a 14n/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))
BDBM104653
PNG
(US8575201, 144)
Show SMILES CC(C)(C)NC(=O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H27N9O2/c1-23(2,3)31-19(34)14-33-13-16(11-29-33)20-30-21(32-35-20)24(7-4-8-24)17-5-6-18(26-12-17)15-9-27-22(25)28-10-15/h5-6,9-13H,4,7-8,14H2,1-3H3,(H,31,34)(H2,25,27,28)
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n/an/a 14n/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))
BDBM50261931
PNG
(CHEMBL4087927)
Show SMILES C[C@](C1CC1)(c1noc(n1)N1CC(C)(O)C1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H24N6O2/c1-20(28)11-27(12-20)19-25-17(26-29-19)21(2,16-7-8-16)15-5-3-13(4-6-15)14-9-23-18(22)24-10-14/h3-6,9-10,16,28H,7-8,11-12H2,1-2H3,(H2,22,23,24)/t21-/m0/s1
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n/an/a 16n/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))
BDBM50261947
PNG
(CHEMBL4079550)
Show SMILES CC(C)[C@@](C)(c1noc(n1)-c1cnn(C)c1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C20H22N8O/c1-12(2)20(3,18-26-17(29-27-18)14-9-25-28(4)11-14)15-5-6-16(22-10-15)13-7-23-19(21)24-8-13/h5-12H,1-4H3,(H2,21,23,24)/t20-/m1/s1
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n/an/a 16n/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))
BDBM104537
PNG
(US8575201, 28)
Show SMILES COCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H22N8O2/c1-30-8-7-29-13-15(11-26-29)18-27-19(28-31-18)21(5-2-6-21)16-3-4-17(23-12-16)14-9-24-20(22)25-10-14/h3-4,9-13H,2,5-8H2,1H3,(H2,22,24,25)
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n/an/a 17n/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))
BDBM50261902
PNG
(CHEMBL4078361)
Show SMILES CC1(O)CCN(CC1)c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H26N6O2/c1-21(29)9-11-28(12-10-21)20-26-18(27-30-20)22(7-2-8-22)17-5-3-15(4-6-17)16-13-24-19(23)25-14-16/h3-6,13-14,29H,2,7-12H2,1H3,(H2,23,24,25)
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n/an/a 17n/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))
BDBM104660
PNG
(US8575201, 151)
Show SMILES CC(C)(C#N)n1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H21N9O/c1-21(2,13-23)31-12-15(10-28-31)18-29-19(30-32-18)22(6-3-7-22)16-4-5-17(25-11-16)14-8-26-20(24)27-9-14/h4-5,8-12H,3,6-7H2,1-2H3,(H2,24,26,27)
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n/an/a 18n/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))
BDBM50261892
PNG
(CHEMBL4096407)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)N1CCC(O)CC1
Show InChI InChI=1S/C21H24N6O2/c22-19-23-12-15(13-24-19)14-2-4-16(5-3-14)21(8-1-9-21)18-25-20(29-26-18)27-10-6-17(28)7-11-27/h2-5,12-13,17,28H,1,6-11H2,(H2,22,23,24)
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n/an/a 18n/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))
BDBM50261957
PNG
(CHEMBL4103813)
Show SMILES C[C@](C1CC1)(c1noc(n1)-c1cnn(CC#N)c1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H19N9O/c1-21(15-2-3-15,16-4-5-17(24-11-16)13-8-25-20(23)26-9-13)19-28-18(31-29-19)14-10-27-30(12-14)7-6-22/h4-5,8-12,15H,2-3,7H2,1H3,(H2,23,25,26)/t21-/m1/s1
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n/an/a 19n/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
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin ...


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))
BDBM50078057
PNG
(CHEMBL3417411)
Show SMILES Nc1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C16H16N6O/c17-14-19-8-11(9-20-14)10-2-4-12(5-3-10)16(6-1-7-16)13-21-15(18)23-22-13/h2-5,8-9H,1,6-7H2,(H2,17,19,20)(H2,18,21,22)
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n/an/a 20n/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))
BDBM50261876
PNG
(CHEMBL4084576)
Show SMILES CN(C)c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H20N6O/c1-24(2)17-22-15(23-25-17)18(8-3-9-18)14-6-4-12(5-7-14)13-10-20-16(19)21-11-13/h4-7,10-11H,3,8-9H2,1-2H3,(H2,19,20,21)
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n/an/a 21n/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))
BDBM50261928
PNG
(CHEMBL4080822)
Show SMILES CC(C)[C@@](C)(c1noc(n1)N1CCC(C)(O)CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C23H30N6O2/c1-15(2)23(4,18-7-5-16(6-8-18)17-13-25-20(24)26-14-17)19-27-21(31-28-19)29-11-9-22(3,30)10-12-29/h5-8,13-15,30H,9-12H2,1-4H3,(H2,24,25,26)/t23-/m1/s1
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n/an/a 21n/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
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin ...


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))
BDBM50261983
PNG
(CHEMBL4068746)
Show SMILES CC(C)[C@@](C)(c1noc(n1)-c1cnn(CC#N)c1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C21H21N9O/c1-13(2)21(3,16-4-5-17(24-11-16)14-8-25-20(23)26-9-14)19-28-18(31-29-19)15-10-27-30(12-15)7-6-22/h4-5,8-13H,7H2,1-3H3,(H2,23,25,26)/t21-/m1/s1
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n/an/a 23n/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))
BDBM50261946
PNG
(CHEMBL4080469)
Show SMILES Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C20H20N8O/c1-20(14-3-4-14,18-26-17(29-27-18)13-9-25-28(2)11-13)15-5-6-16(22-10-15)12-7-23-19(21)24-8-12/h5-11,14H,3-4H2,1-2H3,(H2,21,23,24)/t20-/m1/s1
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n/an/a 26n/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
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin ...


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))
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 27n/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
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin ...


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))
BDBM104563
PNG
(US8575201, 54)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H24N8O2/c1-21(2,31)13-30-12-15(10-27-30)18-28-19(29-32-18)22(6-3-7-22)16-4-5-17(24-11-16)14-8-25-20(23)26-9-14/h4-5,8-12,31H,3,6-7,13H2,1-2H3,(H2,23,25,26)
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n/an/a 28n/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))
BDBM50261932
PNG
(CHEMBL4095628)
Show SMILES CN(c1cnn(C)c1)c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C22H24N8O/c1-22(17-8-9-17,16-6-4-14(5-7-16)15-10-24-20(23)25-11-15)19-27-21(31-28-19)30(3)18-12-26-29(2)13-18/h4-7,10-13,17H,8-9H2,1-3H3,(H2,23,24,25)/t22-/m0/s1
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n/an/a 29n/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))
BDBM104539
PNG
(US8575201, 30)
Show SMILES CC(C)(CO)n1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H24N8O2/c1-21(2,13-31)30-12-15(10-27-30)18-28-19(29-32-18)22(6-3-7-22)16-4-5-17(24-11-16)14-8-25-20(23)26-9-14/h4-5,8-12,31H,3,6-7,13H2,1-2H3,(H2,23,25,26)
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n/an/a 33n/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))
BDBM50261947
PNG
(CHEMBL4079550)
Show SMILES CC(C)[C@@](C)(c1noc(n1)-c1cnn(C)c1)c1ccc(nc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C20H22N8O/c1-12(2)20(3,18-26-17(29-27-18)14-9-25-28(4)11-14)15-5-6-16(22-10-15)13-7-23-19(21)24-8-13/h5-12H,1-4H3,(H2,21,23,24)/t20-/m1/s1
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n/an/a 33n/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
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin ...


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))
BDBM50261891
PNG
(CHEMBL4067453)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C20H22N6O2/c21-18-22-10-14(11-23-18)13-2-4-15(5-3-13)20(7-1-8-20)17-24-19(28-25-17)26-9-6-16(27)12-26/h2-5,10-11,16,27H,1,6-9,12H2,(H2,21,22,23)/t16-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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Article
PubMed
n/an/a 36n/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
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