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PubMed code 18276139

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50029559
PNG
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
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n/an/a 1.60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235116
PNG
(2-(1-phenylcyclopentyl)-4-(quinolin-2-ylmethoxy)ph...)
Show SMILES O=C(Nc1cccnc1)Oc1ccc(OCc2ccc3ccccc3n2)cc1C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C33H29N3O3/c37-32(36-26-12-8-20-34-22-26)39-31-17-16-28(38-23-27-15-14-24-9-4-5-13-30(24)35-27)21-29(31)33(18-6-7-19-33)25-10-2-1-3-11-25/h1-5,8-17,20-22H,6-7,18-19,23H2,(H,36,37)
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n/an/a 2.40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235083
PNG
(CHEMBL401667 | CHEMBL541915 | CHEMBL558778 | pyrid...)
Show SMILES O=C(Nc1cccnc1)Oc1ccc(OCc2nc3ccccc3s2)cc1C1(CC2CCC1C2)c1ccccc1 |TLB:34:27:31.30:33,THB:26:27:31.30:33|
Show InChI InChI=1S/C33H29N3O3S/c37-32(35-25-9-6-16-34-20-25)39-29-15-14-26(38-21-31-36-28-10-4-5-11-30(28)40-31)18-27(29)33(23-7-2-1-3-8-23)19-22-12-13-24(33)17-22/h1-11,14-16,18,20,22,24H,12-13,17,19,21H2,(H,35,37)
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n/an/a 2.40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235107
PNG
(2-((4-((1,6-dihydropyridin-3-yl)methoxy)-3-(1-phen...)
Show SMILES C(Oc1ccc(OCc2ccc3ccccc3n2)cc1C1(CCCC1)c1ccccc1)C1=CCCN=C1 |c:40,t:36|
Show InChI InChI=1S/C33H32N2O2/c1-2-11-27(12-3-1)33(18-6-7-19-33)30-21-29(16-17-32(30)37-23-25-9-8-20-34-22-25)36-24-28-15-14-26-10-4-5-13-31(26)35-28/h1-5,9-17,21-22H,6-8,18-20,23-24H2
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n/an/a 2.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235083
PNG
(CHEMBL401667 | CHEMBL541915 | CHEMBL558778 | pyrid...)
Show SMILES O=C(Nc1cccnc1)Oc1ccc(OCc2nc3ccccc3s2)cc1C1(CC2CCC1C2)c1ccccc1 |TLB:34:27:31.30:33,THB:26:27:31.30:33|
Show InChI InChI=1S/C33H29N3O3S/c37-32(35-25-9-6-16-34-20-25)39-29-15-14-26(38-21-31-36-28-10-4-5-11-30(28)40-31)18-27(29)33(23-7-2-1-3-8-23)19-22-12-13-24(33)17-22/h1-11,14-16,18,20,22,24H,12-13,17,19,21H2,(H,35,37)
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n/an/a 2.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235083
PNG
(CHEMBL401667 | CHEMBL541915 | CHEMBL558778 | pyrid...)
Show SMILES O=C(Nc1cccnc1)Oc1ccc(OCc2nc3ccccc3s2)cc1C1(CC2CCC1C2)c1ccccc1 |TLB:34:27:31.30:33,THB:26:27:31.30:33|
Show InChI InChI=1S/C33H29N3O3S/c37-32(35-25-9-6-16-34-20-25)39-29-15-14-26(38-21-31-36-28-10-4-5-11-30(28)40-31)18-27(29)33(23-7-2-1-3-8-23)19-22-12-13-24(33)17-22/h1-11,14-16,18,20,22,24H,12-13,17,19,21H2,(H,35,37)
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n/an/a 2.80n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235117
PNG
(4-(2-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(quinol...)
Show SMILES OC(=O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:27.30,30.32,25.36,THB:24:25:29.28:31,TEB:32:25:29.28:31|
Show InChI InChI=1S/C33H33NO4/c35-32(36)11-6-18-37-31-17-16-28(38-22-27-15-13-24-7-4-5-10-30(24)34-27)20-29(31)33(25-8-2-1-3-9-25)21-23-12-14-26(33)19-23/h1-5,7-10,13,15-17,20,23,26H,6,11-12,14,18-19,21-22H2,(H,35,36)
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n/an/a 3.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235087
PNG
(CHEMBL403199 | ethyl 4-(2-(2-phenylbicyclo[2.2.1]h...)
Show SMILES CCOC(=O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:29.32,32.34,27.38,THB:26:27:31.30:33,TEB:34:27:31.30:33|
Show InChI InChI=1S/C35H37NO4/c1-2-38-34(37)13-8-20-39-33-19-18-30(40-24-29-17-15-26-9-6-7-12-32(26)36-29)22-31(33)35(27-10-4-3-5-11-27)23-25-14-16-28(35)21-25/h3-7,9-12,15,17-19,22,25,28H,2,8,13-14,16,20-21,23-24H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235115
PNG
(CHEMBL255228 | methyl 2-(2-(1-phenylcyclohexyl)-4-...)
Show SMILES COC(=O)COc1ccc(OCc2ccc3ccccc3n2)cc1C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C31H31NO4/c1-34-30(33)22-36-29-17-16-26(35-21-25-15-14-23-10-6-7-13-28(23)32-25)20-27(29)31(18-8-3-9-19-31)24-11-4-2-5-12-24/h2,4-7,10-17,20H,3,8-9,18-19,21-22H2,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235110
PNG
(2-((3-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyrid...)
Show SMILES C(Oc1ccc(OCc2ccccn2)c(c1)C1(CC2CCC1C2)c1ccccc1)c1ccc2ccccc2n1 |w:18.20,21.22,16.26,THB:14:16:20.19:22,TEB:23:16:20.19:22|
Show InChI InChI=1S/C35H32N2O2/c1-2-9-27(10-3-1)35(22-25-13-15-28(35)20-25)32-21-31(17-18-34(32)39-23-29-11-6-7-19-36-29)38-24-30-16-14-26-8-4-5-12-33(26)37-30/h1-12,14,16-19,21,25,28H,13,15,20,22-24H2
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n/an/a 4.10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235102
PNG
(2-((2-(1-phenylcyclohexyl)-4-(quinolin-2-ylmethoxy...)
Show SMILES C(Oc1ccc(OCc2ccc3ccccc3n2)c(c1)C1(CCCCC1)c1ccccc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C38H34N2O2/c1-3-13-30(14-4-1)38(23-9-2-10-24-38)34-25-33(41-26-31-19-17-28-11-5-7-15-35(28)39-31)21-22-37(34)42-27-32-20-18-29-12-6-8-16-36(29)40-32/h1,3-8,11-22,25H,2,9-10,23-24,26-27H2
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n/an/a 4.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235091
PNG
(2-((2-(1-phenylcyclopentyl)-4-(quinolin-2-ylmethox...)
Show SMILES C(Oc1ccc(OCc2ccc3ccccc3n2)c(c1)C1(CCCC1)c1ccccc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C37H32N2O2/c1-2-12-29(13-3-1)37(22-8-9-23-37)33-24-32(40-25-30-18-16-27-10-4-6-14-34(27)38-30)20-21-36(33)41-26-31-19-17-28-11-5-7-15-35(28)39-31/h1-7,10-21,24H,8-9,22-23,25-26H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235106
PNG
(5-((3-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyrid...)
Show SMILES C(Oc1ccc(OCc2ccccn2)c(c1)C1(CC2CCC1C2)c1ccccc1)c1ccc2occc2n1 |w:18.20,21.22,16.26,THB:14:16:20.19:22,TEB:23:16:20.19:22|
Show InChI InChI=1S/C33H30N2O3/c1-2-6-24(7-3-1)33(20-23-9-10-25(33)18-23)29-19-28(12-14-31(29)38-21-26-8-4-5-16-34-26)37-22-27-11-13-32-30(35-27)15-17-36-32/h1-8,11-17,19,23,25H,9-10,18,20-22H2
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n/an/a 4.90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235094
PNG
(CHEMBL404266 | methyl 2-(2-(2-phenylbicyclo[2.2.1]...)
Show SMILES COC(=O)COc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:26.29,29.31,24.35,THB:23:24:28.27:30,TEB:31:24:28.27:30|
Show InChI InChI=1S/C32H31NO4/c1-35-31(34)21-37-30-16-15-27(36-20-26-14-12-23-7-5-6-10-29(23)33-26)18-28(30)32(24-8-3-2-4-9-24)19-22-11-13-25(32)17-22/h2-10,12,14-16,18,22,25H,11,13,17,19-21H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235089
PNG
(2-((4-(2-(methylsulfonyl)ethoxy)-3-(2-phenylbicycl...)
Show SMILES CS(=O)(=O)CCOc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:27.30,30.32,25.36,THB:24:25:29.28:31,TEB:32:25:29.28:31|
Show InChI InChI=1S/C32H33NO4S/c1-38(34,35)18-17-36-31-16-15-28(37-22-27-14-12-24-7-5-6-10-30(24)33-27)20-29(31)32(25-8-3-2-4-9-25)21-23-11-13-26(32)19-23/h2-10,12,14-16,20,23,26H,11,13,17-19,21-22H2,1H3
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n/an/a 5.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235088
PNG
(CHEMBL254564 | methyl 2-(2-phenylbicyclo[2.2.1]hep...)
Show SMILES COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:24.27,27.29,22.33,THB:21:22:26.25:28,TEB:29:22:26.25:28|
Show InChI InChI=1S/C31H29NO3/c1-34-30(33)27-16-15-26(35-20-25-14-12-22-7-5-6-10-29(22)32-25)18-28(27)31(23-8-3-2-4-9-23)19-21-11-13-24(31)17-21/h2-10,12,14-16,18,21,24H,11,13,17,19-20H2,1H3
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n/an/a 5.60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235109
PNG
(2-((4-butoxy-3-(2-phenylbicyclo[2.2.1]heptan-2-yl)...)
Show SMILES CCCCOc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:25.28,28.30,23.34,THB:22:23:27.26:29,TEB:30:23:27.26:29|
Show InChI InChI=1S/C33H35NO2/c1-2-3-19-35-32-18-17-29(36-23-28-16-14-25-9-7-8-12-31(25)34-28)21-30(32)33(26-10-5-4-6-11-26)22-24-13-15-27(33)20-24/h4-12,14,16-18,21,24,27H,2-3,13,15,19-20,22-23H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235084
PNG
(CHEMBL438166 | N,N-dimethyl-2-(2-(2-phenylbicyclo[...)
Show SMILES CN(C)CCOc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:26.29,29.31,24.35,THB:23:24:28.27:30,TEB:31:24:28.27:30|
Show InChI InChI=1S/C33H36N2O2/c1-35(2)18-19-36-32-17-16-29(37-23-28-15-13-25-8-6-7-11-31(25)34-28)21-30(32)33(26-9-4-3-5-10-26)22-24-12-14-27(33)20-24/h3-11,13,15-17,21,24,27H,12,14,18-20,22-23H2,1-2H3
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n/an/a 6.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235101
PNG
(2-((3-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyrid...)
Show SMILES C(Oc1ccc(OCc2ccccn2)c(c1)C1(CC2CCC1C2)c1ccccc1)c1nc2ccccc2s1 |w:18.20,21.22,16.26,THB:14:16:20.19:22,TEB:23:16:20.19:22|
Show InChI InChI=1S/C33H30N2O2S/c1-2-8-24(9-3-1)33(20-23-13-14-25(33)18-23)28-19-27(15-16-30(28)37-21-26-10-6-7-17-34-26)36-22-32-35-29-11-4-5-12-31(29)38-32/h1-12,15-17,19,23,25H,13-14,18,20-22H2
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n/an/a 7.60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235105
PNG
(2-((4-methoxy-3-(2-phenylbicyclo[2.2.1]heptan-2-yl...)
Show SMILES COc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:22.25,25.27,20.31,THB:19:20:24.23:26,TEB:27:20:24.23:26|
Show InChI InChI=1S/C30H29NO2/c1-32-29-16-15-26(33-20-25-14-12-22-7-5-6-10-28(22)31-25)18-27(29)30(23-8-3-2-4-9-23)19-21-11-13-24(30)17-21/h2-10,12,14-16,18,21,24H,11,13,17,19-20H2,1H3
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n/an/a 8.60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235085
PNG
(2-((4-(benzyloxy)-3-(2-phenylbicyclo[2.2.1]heptan-...)
Show SMILES C(Oc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1)c1ccccc1 |w:22.25,25.27,20.31,THB:19:20:24.23:26,TEB:27:20:24.23:26|
Show InChI InChI=1S/C36H33NO2/c1-3-9-26(10-4-1)24-39-35-20-19-32(38-25-31-18-16-28-11-7-8-14-34(28)37-31)22-33(35)36(29-12-5-2-6-13-29)23-27-15-17-30(36)21-27/h1-14,16,18-20,22,27,30H,15,17,21,23-25H2
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n/an/a 8.60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235104
PNG
(CHEMBL255013 | methyl 2-(2-(1-phenylcyclopentyl)-4...)
Show SMILES COC(=O)COc1ccc(OCc2ccc3ccccc3n2)cc1C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C30H29NO4/c1-33-29(32)21-35-28-16-15-25(34-20-24-14-13-22-9-5-6-12-27(22)31-24)19-26(28)30(17-7-8-18-30)23-10-3-2-4-11-23/h2-6,9-16,19H,7-8,17-18,20-21H2,1H3
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n/an/a 9.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235080
PNG
(2-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(quinolin-...)
Show SMILES OC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:23.26,26.28,21.32,THB:20:21:25.24:27,TEB:28:21:25.24:27|
Show InChI InChI=1S/C30H27NO3/c32-29(33)26-15-14-25(34-19-24-13-11-21-6-4-5-9-28(21)31-24)17-27(26)30(22-7-2-1-3-8-22)18-20-10-12-23(30)16-20/h1-9,11,13-15,17,20,23H,10,12,16,18-19H2,(H,32,33)
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n/an/a 12.4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235090
PNG
(2-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(quinolin-...)
Show SMILES Oc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:21.24,24.26,19.30,THB:18:19:23.22:25,TEB:26:19:23.22:25|
Show InChI InChI=1S/C29H27NO2/c31-28-15-14-25(32-19-24-13-11-21-6-4-5-9-27(21)30-24)17-26(28)29(22-7-2-1-3-8-22)18-20-10-12-23(29)16-20/h1-9,11,13-15,17,20,23,31H,10,12,16,18-19H2
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n/an/a 13.2n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235095
PNG
(2-(2-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(quinol...)
Show SMILES OC(=O)COc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:25.28,28.30,23.34,THB:22:23:27.26:29,TEB:30:23:27.26:29|
Show InChI InChI=1S/C31H29NO4/c33-30(34)20-36-29-15-14-26(35-19-25-13-11-22-6-4-5-9-28(22)32-25)17-27(29)31(23-7-2-1-3-8-23)18-21-10-12-24(31)16-21/h1-9,11,13-15,17,21,24H,10,12,16,18-20H2,(H,33,34)
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n/an/a 14n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235099
PNG
(2-((2-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyrid...)
Show SMILES C(Oc1ccc(OCc2ccccn2)c(c1)C1(CC2CCC1C2)c1ccccc1)c1ccccn1 |w:18.20,21.22,16.26,THB:14:16:20.19:22,TEB:23:16:20.19:22|
Show InChI InChI=1S/C31H30N2O2/c1-2-8-24(9-3-1)31(20-23-12-13-25(31)18-23)29-19-28(34-21-26-10-4-6-16-32-26)14-15-30(29)35-22-27-11-5-7-17-33-27/h1-11,14-17,19,23,25H,12-13,18,20-22H2
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n/an/a 18.3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235082
PNG
(2-(1-phenylcyclopentyl)-4-(quinolin-2-ylmethoxy)ph...)
Show SMILES Oc1ccc(OCc2ccc3ccccc3n2)cc1C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C27H25NO2/c29-26-15-14-23(30-19-22-13-12-20-8-4-5-11-25(20)28-22)18-24(26)27(16-6-7-17-27)21-9-2-1-3-10-21/h1-5,8-15,18,29H,6-7,16-17,19H2
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n/an/a 22n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235118
PNG
(CHEMBL256765 | methyl 2-(3-(2-phenylbicyclo[2.2.1]...)
Show SMILES COC(=O)COc1ccc(OCc2ccc3ccccc3n2)c(c1)C1(CC2CCC1C2)c1ccccc1 |w:26.29,29.31,24.35,THB:22:24:28.27:30,TEB:31:24:28.27:30|
Show InChI InChI=1S/C32H31NO4/c1-35-31(34)21-36-27-15-16-30(37-20-26-14-12-23-7-5-6-10-29(23)33-26)28(18-27)32(24-8-3-2-4-9-24)19-22-11-13-25(32)17-22/h2-10,12,14-16,18,22,25H,11,13,17,19-21H2,1H3
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n/an/a 94n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235098
PNG
(2-(4-(2-(4-(quinolin-2-ylmethoxy)phenyl)bicyclo[2....)
Show SMILES OC(=O)COc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1 |w:13.14,16.16,11.11,THB:18:11:15.14:17,TEB:8:11:15.14:17|
Show InChI InChI=1S/C31H29NO4/c33-30(34)20-36-28-15-10-24(11-16-28)31(18-21-5-7-25(31)17-21)23-8-13-27(14-9-23)35-19-26-12-6-22-3-1-2-4-29(22)32-26/h1-4,6,8-16,21,25H,5,7,17-20H2,(H,33,34)
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n/an/a 98n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235093
PNG
(2-((4-(2-(4-(quinolin-2-ylmethoxy)phenyl)bicyclo[2...)
Show SMILES C(Oc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc2ccccc2n1 |w:10.11,13.13|
Show InChI InChI=1S/C39H34N2O2/c1-3-7-37-28(5-1)10-17-33(40-37)25-42-35-19-13-30(14-20-35)39(24-27-9-12-32(39)23-27)31-15-21-36(22-16-31)43-26-34-18-11-29-6-2-4-8-38(29)41-34/h1-8,10-11,13-22,27,32H,9,12,23-26H2
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n/an/a 127n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235114
PNG
(2-((2-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyrid...)
Show SMILES C(Oc1ccc(OCc2ccccn2)c(c1)C1(CC2CCC1C2)c1ccccc1)c1cccnc1 |w:18.20,21.22,16.26,THB:14:16:20.19:22,TEB:23:16:20.19:22|
Show InChI InChI=1S/C31H30N2O2/c1-2-8-25(9-3-1)31(19-23-11-12-26(31)17-23)29-18-28(34-21-24-7-6-15-32-20-24)13-14-30(29)35-22-27-10-4-5-16-33-27/h1-10,13-16,18,20,23,26H,11-12,17,19,21-22H2
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n/an/a 134n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235092
PNG
(4-(2-(4-(quinolin-2-ylmethoxy)phenyl)bicyclo[2.2.1...)
Show SMILES Oc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1 |w:9.10,12.12,7.7,THB:14:7:11.10:13,TEB:4:7:11.10:13|
Show InChI InChI=1S/C29H27NO2/c31-26-13-8-22(9-14-26)29(18-20-5-7-24(29)17-20)23-10-15-27(16-11-23)32-19-25-12-6-21-3-1-2-4-28(21)30-25/h1-4,6,8-16,20,24,31H,5,7,17-19H2
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n/an/a 145n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235097
PNG
(3-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyridin-2...)
Show SMILES O=C(Nc1cccnc1)Oc1ccc(OCc2ccccn2)c(c1)C1(CC2CCC1C2)c1ccccc1 |TLB:31:24:28.27:30,THB:22:24:28.27:30|
Show InChI InChI=1S/C31H29N3O3/c35-30(34-25-10-6-15-32-20-25)37-27-13-14-29(36-21-26-9-4-5-16-33-26)28(18-27)31(23-7-2-1-3-8-23)19-22-11-12-24(31)17-22/h1-10,13-16,18,20,22,24H,11-12,17,19,21H2,(H,34,35)
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n/an/a 181n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235113
PNG
(CHEMBL258215 | methyl 2-(4-(2-(4-(quinolin-2-ylmet...)
Show SMILES COC(=O)COc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1 |w:14.15,17.17,12.12,THB:19:12:16.15:18,TEB:9:12:16.15:18|
Show InChI InChI=1S/C32H31NO4/c1-35-31(34)21-37-29-16-11-25(12-17-29)32(19-22-6-8-26(32)18-22)24-9-14-28(15-10-24)36-20-27-13-7-23-4-2-3-5-30(23)33-27/h2-5,7,9-17,22,26H,6,8,18-21H2,1H3
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n/an/a 182n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235108
PNG
(2-(4-{2-[4-(2-hydroxy-ethoxy)-phenyl]-bicyclo[2.2....)
Show SMILES OCCOc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCCO)cc1 |w:12.13,15.15|
Show InChI InChI=1S/C23H28O4/c24-11-13-26-21-7-3-18(4-8-21)23(16-17-1-2-20(23)15-17)19-5-9-22(10-6-19)27-14-12-25/h3-10,17,20,24-25H,1-2,11-16H2
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n/an/a 387n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235096
PNG
(CHEMBL255011 | methyl 2-(2-(2-phenylbicyclo[2.2.1]...)
Show SMILES COC(=O)COc1cc(OCc2ccc3ccccc3n2)ccc1C1(CC2CCC1C2)c1ccccc1 |w:26.29,29.31,24.35,THB:23:24:28.27:30,TEB:31:24:28.27:30|
Show InChI InChI=1S/C32H31NO4/c1-35-31(34)21-37-30-18-27(36-20-26-14-12-23-7-5-6-10-29(23)33-26)15-16-28(30)32(24-8-3-2-4-9-24)19-22-11-13-25(32)17-22/h2-10,12,14-16,18,22,25H,11,13,17,19-21H2,1H3
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n/an/a 776n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235081
PNG
(2-(2-phenylbicyclo[2.2.1]heptan-2-yl)-5-(quinolin-...)
Show SMILES Oc1cc(OCc2ccc3ccccc3n2)ccc1C1(CC2CCC1C2)c1ccccc1 |w:21.24,24.26,19.30,THB:18:19:23.22:25,TEB:26:19:23.22:25|
Show InChI InChI=1S/C29H27NO2/c31-28-17-25(32-19-24-13-11-21-6-4-5-9-27(21)30-24)14-15-26(28)29(22-7-2-1-3-8-22)18-20-10-12-23(29)16-20/h1-9,11,13-15,17,20,23,31H,10,12,16,18-19H2
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n/an/a 980n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235111
PNG
(2-(2-phenylbicyclo[2.2.1]heptan-2-yl)benzene-1,4-d...)
Show SMILES Oc1ccc(O)c(c1)C1(CC2CCC1C2)c1ccccc1 |w:10.11,13.13,8.17,THB:6:8:12.11:14,TEB:15:8:12.11:14|
Show InChI InChI=1S/C19H20O2/c20-16-8-9-18(21)17(11-16)19(14-4-2-1-3-5-14)12-13-6-7-15(19)10-13/h1-5,8-9,11,13,15,20-21H,6-7,10,12H2
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n/an/a 2.07E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235100
PNG
(2-(3-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(quinol...)
Show SMILES OC(=O)COc1ccc(OCc2ccc3ccccc3n2)c(c1)C1(CC2CCC1C2)c1ccccc1 |w:25.28,28.30,23.34,THB:21:23:27.26:29,TEB:30:23:27.26:29|
Show InChI InChI=1S/C31H29NO4/c33-30(34)20-35-26-14-15-29(36-19-25-13-11-22-6-4-5-9-28(22)32-25)27(17-26)31(23-7-2-1-3-8-23)18-21-10-12-24(31)16-21/h1-9,11,13-15,17,21,24H,10,12,16,18-20H2,(H,33,34)
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n/an/a 3.16E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50235086
PNG
(2-(2-(2-phenylbicyclo[2.2.1]heptan-2-yl)-5-(quinol...)
Show SMILES OC(=O)COc1cc(OCc2ccc3ccccc3n2)ccc1C1(CC2CCC1C2)c1ccccc1 |w:25.28,28.30,23.34,THB:22:23:27.26:29,TEB:30:23:27.26:29|
Show InChI InChI=1S/C31H29NO4/c33-30(34)20-36-29-17-26(35-19-25-13-11-22-6-4-5-9-28(22)32-25)14-15-27(29)31(23-7-2-1-3-8-23)18-21-10-12-24(31)16-21/h1-9,11,13-15,17,21,24H,10,12,16,18-20H2,(H,33,34)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50235090
PNG
(2-(2-phenylbicyclo[2.2.1]heptan-2-yl)-4-(quinolin-...)
Show SMILES Oc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:21.24,24.26,19.30,THB:18:19:23.22:25,TEB:26:19:23.22:25|
Show InChI InChI=1S/C29H27NO2/c31-28-15-14-25(32-19-24-13-11-21-6-4-5-9-27(21)30-24)17-26(28)29(22-7-2-1-3-8-22)18-20-10-12-23(29)16-20/h1-9,11,13-15,17,20,23,31H,10,12,16,18-19H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5LOX


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50235094
PNG
(CHEMBL404266 | methyl 2-(2-(2-phenylbicyclo[2.2.1]...)
Show SMILES COC(=O)COc1ccc(OCc2ccc3ccccc3n2)cc1C1(CC2CCC1C2)c1ccccc1 |w:26.29,29.31,24.35,THB:23:24:28.27:30,TEB:31:24:28.27:30|
Show InChI InChI=1S/C32H31NO4/c1-35-31(34)21-37-30-16-15-27(36-20-26-14-12-23-7-5-6-10-29(23)33-26)18-28(30)32(24-8-3-2-4-9-24)19-22-11-13-25(32)17-22/h2-10,12,14-16,18,22,25H,11,13,17,19-21H2,1H3
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n/an/a>6.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5LOX


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50235098
PNG
(2-(4-(2-(4-(quinolin-2-ylmethoxy)phenyl)bicyclo[2....)
Show SMILES OC(=O)COc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1 |w:13.14,16.16,11.11,THB:18:11:15.14:17,TEB:8:11:15.14:17|
Show InChI InChI=1S/C31H29NO4/c33-30(34)20-36-28-15-10-24(11-16-28)31(18-21-5-7-25(31)17-21)23-8-13-27(14-9-23)35-19-26-12-6-22-3-1-2-4-29(22)32-26/h1-4,6,8-16,21,25H,5,7,17-20H2,(H,33,34)
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n/an/a>6.30E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5LOX


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50235108
PNG
(2-(4-{2-[4-(2-hydroxy-ethoxy)-phenyl]-bicyclo[2.2....)
Show SMILES OCCOc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCCO)cc1 |w:12.13,15.15|
Show InChI InChI=1S/C23H28O4/c24-11-13-26-21-7-3-18(4-8-21)23(16-17-1-2-20(23)15-17)19-5-9-22(10-6-19)27-14-12-25/h3-10,17,20,24-25H,1-2,11-16H2
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n/an/a>8.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5LOX


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%