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Compile Data Set for Download or QSAR

Found 491 hits from Amira Pharmaceuticals   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359073
PNG
(CHEMBL1922653)
Show SMILES COc1cccc(n1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C37H41N3O4S/c1-24-11-16-27(38-21-24)23-44-28-17-18-31-29(19-28)34(45-36(2,3)4)32(20-37(5,6)35(41)42)40(31)22-25-12-14-26(15-13-25)30-9-8-10-33(39-30)43-7/h8-19,21H,20,22-23H2,1-7H3,(H,41,42)
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n/an/a 0.300n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359083
PNG
(CHEMBL1922663)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(F)cn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H38FN3O3S/c1-23-7-13-27(38-19-23)22-43-28-14-16-31-29(17-28)33(44-35(2,3)4)32(18-36(5,6)34(41)42)40(31)21-24-8-10-25(11-9-24)30-15-12-26(37)20-39-30/h7-17,19-20H,18,21-22H2,1-6H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359077
PNG
(CHEMBL1922657)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(nc4)C(F)(F)F)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C37H38F3N3O3S/c1-23-7-13-27(41-19-23)22-46-28-14-15-30-29(17-28)33(47-35(2,3)4)31(18-36(5,6)34(44)45)43(30)21-24-8-10-25(11-9-24)26-12-16-32(42-20-26)37(38,39)40/h7-17,19-20H,18,21-22H2,1-6H3,(H,44,45)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359076
PNG
(CHEMBL1922656)
Show SMILES CCOc1nc(cs1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C36H41N3O4S2/c1-8-42-34-38-29(22-44-34)25-12-10-24(11-13-25)20-39-30-16-15-27(43-21-26-14-9-23(2)19-37-26)17-28(30)32(45-35(3,4)5)31(39)18-36(6,7)33(40)41/h9-17,19,22H,8,18,20-21H2,1-7H3,(H,40,41)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359075
PNG
(CHEMBL1922655)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cc(ccn4)C(F)(F)F)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C37H38F3N3O3S/c1-23-7-12-27(42-20-23)22-46-28-13-14-31-29(18-28)33(47-35(2,3)4)32(19-36(5,6)34(44)45)43(31)21-24-8-10-25(11-9-24)30-17-26(15-16-41-30)37(38,39)40/h7-18,20H,19,21-22H2,1-6H3,(H,44,45)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359078
PNG
(CHEMBL1922658)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(cn4)C(F)(F)F)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C37H38F3N3O3S/c1-23-7-13-27(41-19-23)22-46-28-14-16-31-29(17-28)33(47-35(2,3)4)32(18-36(5,6)34(44)45)43(31)21-24-8-10-25(11-9-24)30-15-12-26(20-42-30)37(38,39)40/h7-17,19-20H,18,21-22H2,1-6H3,(H,44,45)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359079
PNG
(CHEMBL1922659)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cccc(n4)C(F)(F)F)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C37H38F3N3O3S/c1-23-10-15-26(41-20-23)22-46-27-16-17-30-28(18-27)33(47-35(2,3)4)31(19-36(5,6)34(44)45)43(30)21-24-11-13-25(14-12-24)29-8-7-9-32(42-29)37(38,39)40/h7-18,20H,19,21-22H2,1-6H3,(H,44,45)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359082
PNG
(CHEMBL1922662)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(C)cn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C37H41N3O3S/c1-24-8-14-28(38-20-24)23-43-29-15-17-32-30(18-29)34(44-36(3,4)5)33(19-37(6,7)35(41)42)40(32)22-26-10-12-27(13-11-26)31-16-9-25(2)21-39-31/h8-18,20-21H,19,22-23H2,1-7H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50052018
PNG
(3-[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)/p-1
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50297385
PNG
(3-[3-tert-Butylsulfanyl-1-[4-(6-methoxy-pyridin-3-...)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1
Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-9-7-8-18-37-27)15-16-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)26-14-17-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359085
PNG
(CHEMBL1922665)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cccnc4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H39N3O3S/c1-24-9-14-28(38-20-24)23-42-29-15-16-31-30(18-29)33(43-35(2,3)4)32(19-36(5,6)34(40)41)39(31)22-25-10-12-26(13-11-25)27-8-7-17-37-21-27/h7-18,20-21H,19,22-23H2,1-6H3,(H,40,41)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 52: 5803-15 (2009)


Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359062
PNG
(CHEMBL1922642)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4cccc(C)n4)ccc23)cc1
Show InChI InChI=1S/C37H41N3O4S/c1-24-9-8-10-28(39-24)23-44-29-16-17-31-30(19-29)34(45-36(2,3)4)32(20-37(5,6)35(41)42)40(31)22-25-11-13-26(14-12-25)27-15-18-33(43-7)38-21-27/h8-19,21H,20,22-23H2,1-7H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359061
PNG
(CHEMBL1922532)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C37H41N3O4S/c1-24-8-14-28(38-20-24)23-44-29-15-16-31-30(18-29)34(45-36(2,3)4)32(19-37(5,6)35(41)42)40(31)22-25-9-11-26(12-10-25)27-13-17-33(43-7)39-21-27/h8-18,20-21H,19,22-23H2,1-7H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359084
PNG
(CHEMBL1922664)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cncc(F)c4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H38FN3O3S/c1-23-7-12-28(39-18-23)22-43-29-13-14-31-30(16-29)33(44-35(2,3)4)32(17-36(5,6)34(41)42)40(31)21-24-8-10-25(11-9-24)26-15-27(37)20-38-19-26/h7-16,18-20H,17,21-22H2,1-6H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359063
PNG
(CHEMBL1922643)
Show SMILES CCc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(OC)nc4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C38H43N3O4S/c1-8-25-11-15-29(39-21-25)24-45-30-16-17-32-31(19-30)35(46-37(2,3)4)33(20-38(5,6)36(42)43)41(32)23-26-9-12-27(13-10-26)28-14-18-34(44-7)40-22-28/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359081
PNG
(CHEMBL1922661)
Show SMILES CCOc1cccc(n1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C38H43N3O4S/c1-8-44-34-11-9-10-31(40-34)27-15-13-26(14-16-27)23-41-32-19-18-29(45-24-28-17-12-25(2)22-39-28)20-30(32)35(46-37(3,4)5)33(41)21-38(6,7)36(42)43/h9-20,22H,8,21,23-24H2,1-7H3,(H,42,43)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359086
PNG
(CHEMBL1922666)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccccn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H39N3O3S/c1-24-10-15-27(38-21-24)23-42-28-16-17-31-29(19-28)33(43-35(2,3)4)32(20-36(5,6)34(40)41)39(31)22-25-11-13-26(14-12-25)30-9-7-8-18-37-30/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359088
PNG
(CHEMBL1229205)
Show SMILES COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C36H40N4O4S/c1-23-8-13-26(37-18-23)22-44-27-14-15-30-29(16-27)32(45-35(2,3)4)31(17-36(5,6)34(41)42)40(30)21-24-9-11-25(12-10-24)33-38-19-28(43-7)20-39-33/h8-16,18-20H,17,21-22H2,1-7H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359065
PNG
(CHEMBL1922645)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)c(C)n4)ccc23)cc1
Show InChI InChI=1S/C38H43N3O4S/c1-24-9-15-29(40-25(24)2)23-45-30-16-17-32-31(19-30)35(46-37(3,4)5)33(20-38(6,7)36(42)43)41(32)22-26-10-12-27(13-11-26)28-14-18-34(44-8)39-21-28/h9-19,21H,20,22-23H2,1-8H3,(H,42,43)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359095
PNG
(CHEMBL1922524)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4cnc5ccccc5n4)ccc23)cc1
Show InChI InChI=1S/C39H40N4O4S/c1-38(2,3)48-36-30-19-29(47-24-28-22-40-31-9-7-8-10-32(31)42-28)16-17-33(30)43(34(36)20-39(4,5)37(44)45)23-25-11-13-26(14-12-25)27-15-18-35(46-6)41-21-27/h7-19,21-22H,20,23-24H2,1-6H3,(H,44,45)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359096
PNG
(CHEMBL1922525)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc5cc(F)ccc5n4)ccc23)cc1
Show InChI InChI=1S/C40H40FN3O4S/c1-39(2,3)49-37-32-20-31(48-24-30-14-11-27-19-29(41)13-16-33(27)43-30)15-17-34(32)44(35(37)21-40(4,5)38(45)46)23-25-7-9-26(10-8-25)28-12-18-36(47-6)42-22-28/h7-20,22H,21,23-24H2,1-6H3,(H,45,46)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359080
PNG
(CHEMBL1922660)
Show SMILES CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C38H43N3O4S/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359066
PNG
(CHEMBL1922646)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(Cl)cn4)ccc23)cc1
Show InChI InChI=1S/C36H38ClN3O4S/c1-35(2,3)45-33-29-17-28(44-22-27-13-12-26(37)20-38-27)14-15-30(29)40(31(33)18-36(4,5)34(41)42)21-23-7-9-24(10-8-23)25-11-16-32(43-6)39-19-25/h7-17,19-20H,18,21-22H2,1-6H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359067
PNG
(CHEMBL1922647)
Show SMILES COc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(OC)nc4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C37H41N3O5S/c1-36(2,3)46-34-30-18-28(45-23-27-13-14-29(43-6)21-38-27)15-16-31(30)40(32(34)19-37(4,5)35(41)42)22-24-8-10-25(11-9-24)26-12-17-33(44-7)39-20-26/h8-18,20-21H,19,22-23H2,1-7H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359074
PNG
(CHEMBL1922654)
Show SMILES COc1cccnc1-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C37H41N3O4S/c1-24-10-15-27(39-21-24)23-44-28-16-17-30-29(19-28)34(45-36(2,3)4)31(20-37(5,6)35(41)42)40(30)22-25-11-13-26(14-12-25)33-32(43-7)9-8-18-38-33/h8-19,21H,20,22-23H2,1-7H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359094
PNG
(CHEMBL1922523)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc5ccccc5n4)ccc23)cc1
Show InChI InChI=1S/C40H41N3O4S/c1-39(2,3)48-37-32-21-31(47-25-30-17-15-28-9-7-8-10-33(28)42-30)18-19-34(32)43(35(37)22-40(4,5)38(44)45)24-26-11-13-27(14-12-26)29-16-20-36(46-6)41-23-29/h7-21,23H,22,24-25H2,1-6H3,(H,44,45)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50080250
PNG
(3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(pyridi...)
Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12
Show InChI InChI=1S/C30H33ClN2O3S/c1-29(2,3)37-27-24-16-23(36-19-22-8-6-7-15-32-22)13-14-25(24)33(18-20-9-11-21(31)12-10-20)26(27)17-30(4,5)28(34)35/h6-16H,17-19H2,1-5H3,(H,34,35)
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n/an/a 1n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 52: 5803-15 (2009)


Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359080
PNG
(CHEMBL1922660)
Show SMILES CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C38H43N3O4S/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 1 hr by ELISA in a...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50052018
PNG
(3-[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)/p-1
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 1 hr by ELISA in a...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50052018
PNG
(3-[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)/p-1
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 5 mins by ELISA in...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359080
PNG
(CHEMBL1922660)
Show SMILES CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C38H43N3O4S/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 5 mins by ELISA in...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296979
PNG
(2-((3R)-3-(4-fluoro-N-methylphenylsulfonamido)-3,4...)
Show SMILES CN([C@@H]1CCC2=C(C1)C1C=CC=CC1N2CC(O)=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15,17,19H,8,11-13H2,1H3,(H,25,26)/t15-,17?,19?/m1/s1
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50297385
PNG
(3-[3-tert-Butylsulfanyl-1-[4-(6-methoxy-pyridin-3-...)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1
Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-9-7-8-18-37-27)15-16-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)26-14-17-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 1 hr by ELISA in a...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359059
PNG
(CHEMBL1922530)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ncccc4C)ccc23)cc1
Show InChI InChI=1S/C37H41N3O4S/c1-24-9-8-18-38-30(24)23-44-28-15-16-31-29(19-28)34(45-36(2,3)4)32(20-37(5,6)35(41)42)40(31)22-25-10-12-26(13-11-25)27-14-17-33(43-7)39-21-27/h8-19,21H,20,22-23H2,1-7H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359064
PNG
(CHEMBL1922644)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ncc(C)cc4C)ccc23)cc1
Show InChI InChI=1S/C38H43N3O4S/c1-24-17-25(2)31(39-20-24)23-45-29-14-15-32-30(18-29)35(46-37(3,4)5)33(19-38(6,7)36(42)43)41(32)22-26-9-11-27(12-10-26)28-13-16-34(44-8)40-21-28/h9-18,20-21H,19,22-23H2,1-8H3,(H,42,43)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50297385
PNG
(3-[3-tert-Butylsulfanyl-1-[4-(6-methoxy-pyridin-3-...)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1
Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-9-7-8-18-37-27)15-16-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)26-14-17-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 5 mins by ELISA in...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359086
PNG
(CHEMBL1922666)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccccn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H39N3O3S/c1-24-10-15-27(38-21-24)23-42-28-16-17-31-29(19-28)33(43-35(2,3)4)32(20-36(5,6)34(40)41)39(31)22-25-11-13-26(14-12-25)30-9-7-8-18-37-30/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359073
PNG
(CHEMBL1922653)
Show SMILES COc1cccc(n1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C37H41N3O4S/c1-24-11-16-27(38-21-24)23-44-28-17-18-31-29(19-28)34(45-36(2,3)4)32(20-37(5,6)35(41)42)40(31)22-25-12-14-26(15-13-25)30-9-8-10-33(39-30)43-7/h8-19,21H,20,22-23H2,1-7H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359076
PNG
(CHEMBL1922656)
Show SMILES CCOc1nc(cs1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C36H41N3O4S2/c1-8-42-34-38-29(22-44-34)25-12-10-24(11-13-25)20-39-30-16-15-27(43-21-26-14-9-23(2)19-37-26)17-28(30)32(45-35(3,4)5)31(39)18-36(6,7)33(40)41/h9-17,19,22H,8,18,20-21H2,1-7H3,(H,40,41)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50297370
PNG
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)
Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2nccs2)c2ccc(OCc3ccccn3)cc12
Show InChI InChI=1S/C33H35N3O3S2/c1-32(2,3)41-29-26-18-25(39-21-24-8-6-7-15-34-24)13-14-27(26)36(28(29)19-33(4,5)31(37)38)20-22-9-11-23(12-10-22)30-35-16-17-40-30/h6-18H,19-21H2,1-5H3,(H,37,38)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 52: 5803-15 (2009)


Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359057
PNG
(CHEMBL1922528)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4cn5ccccc5n4)ccc23)cc1
Show InChI InChI=1S/C38H40N4O4S/c1-37(2,3)47-35-30-19-29(46-24-28-23-41-18-8-7-9-33(41)40-28)15-16-31(30)42(32(35)20-38(4,5)36(43)44)22-25-10-12-26(13-11-25)27-14-17-34(45-6)39-21-27/h7-19,21,23H,20,22,24H2,1-6H3,(H,43,44)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50304887
PNG
((S)-3-(5-((1-acetylindolin-2-yl)methoxy)-3-(tert-b...)
Show SMILES CC(=O)N1[C@H](COc2ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)Cc2ccccc12
Show InChI InChI=1S/C35H39ClN2O4S/c1-22(39)38-26(17-24-9-7-8-10-29(24)38)21-42-27-15-16-30-28(18-27)32(43-34(2,3)4)31(19-35(5,6)33(40)41)37(30)20-23-11-13-25(36)14-12-23/h7-16,18,26H,17,19-21H2,1-6H3,(H,40,41)/t26-/m0/s1
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to FLAP in human PMN derived membrane


Bioorg Med Chem Lett 20: 213-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.131
BindingDB Entry DOI: 10.7270/Q2MW2H78
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359081
PNG
(CHEMBL1922661)
Show SMILES CCOc1cccc(n1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C38H43N3O4S/c1-8-44-34-11-9-10-31(40-34)27-15-13-26(14-16-27)23-41-32-19-18-29(45-24-28-17-12-25(2)22-39-28)20-30(32)35(46-37(3,4)5)33(41)21-38(6,7)36(42)43/h9-20,22H,8,21,23-24H2,1-7H3,(H,42,43)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50359083
PNG
(CHEMBL1922663)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(F)cn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H38FN3O3S/c1-23-7-13-27(38-19-23)22-43-28-14-16-31-29(17-28)33(44-35(2,3)4)32(18-36(5,6)34(41)42)40(31)21-24-8-10-25(11-9-24)30-15-12-26(37)20-39-30/h7-17,19-20H,18,21-22H2,1-6H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359092
PNG
(CHEMBL1922671)
Show SMILES CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(C(=O)CC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Show InChI InChI=1S/C40H45N3O5/c1-8-47-36-18-14-29(23-42-36)28-12-10-27(11-13-28)24-43-33-17-16-31(48-25-30-15-9-26(2)22-41-30)19-32(33)37(35(44)21-39(3,4)5)34(43)20-40(6,7)38(45)46/h9-19,22-23H,8,20-21,24-25H2,1-7H3,(H,45,46)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359083
PNG
(CHEMBL1922663)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(F)cn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H38FN3O3S/c1-23-7-13-27(38-19-23)22-43-28-14-16-31-29(17-28)33(44-35(2,3)4)32(18-36(5,6)34(41)42)40(31)21-24-8-10-25(11-9-24)30-15-12-26(37)20-39-30/h7-17,19-20H,18,21-22H2,1-6H3,(H,41,42)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50359056
PNG
(CHEMBL1922527)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc5cc(C)ccc5n4)ccc23)cc1
Show InChI InChI=1S/C41H43N3O4S/c1-26-8-17-34-29(20-26)13-15-31(43-34)25-48-32-16-18-35-33(21-32)38(49-40(2,3)4)36(22-41(5,6)39(45)46)44(35)24-27-9-11-28(12-10-27)30-14-19-37(47-7)42-23-30/h8-21,23H,22,24-25H2,1-7H3,(H,45,46)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA


J Med Chem 54: 8013-29 (2011)


Article DOI: 10.1021/jm2008369
BindingDB Entry DOI: 10.7270/Q269740W
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50304898
PNG
((S)-3-(5-((1-acetylindolin-2-yl)methoxy)-3-(tert-b...)
Show SMILES CC(=O)N1[C@H](COc2ccc3n(Cc4ccc(cc4)-c4ccc(F)cn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)Cc2ccccc12
Show InChI InChI=1S/C40H42FN3O4S/c1-25(45)44-30(19-28-9-7-8-10-34(28)44)24-48-31-16-18-35-32(20-31)37(49-39(2,3)4)36(21-40(5,6)38(46)47)43(35)23-26-11-13-27(14-12-26)33-17-15-29(41)22-42-33/h7-18,20,22,30H,19,21,23-24H2,1-6H3,(H,46,47)/t30-/m0/s1
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to FLAP in human PMN derived membrane


Bioorg Med Chem Lett 20: 213-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.131
BindingDB Entry DOI: 10.7270/Q2MW2H78
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50080250
PNG
(3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(pyridi...)
Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12
Show InChI InChI=1S/C30H33ClN2O3S/c1-29(2,3)37-27-24-16-23(36-19-22-8-6-7-15-32-22)13-14-25(24)33(18-20-9-11-21(31)12-10-20)26(27)17-30(4,5)28(34)35/h6-16H,17-19H2,1-5H3,(H,34,35)
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Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...


J Med Chem 52: 5803-15 (2009)


Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1
More data for this
Ligand-Target Pair
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