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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Arachidonate 5-lipoxygenase-activating protein' and Ligand = 'BDBM50359057'   
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))
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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n/an/a 1.40n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 8.90n/an/an/an/an/an/a



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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 552n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 5 hrs 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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 980n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 15 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