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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Arachidonate 5-lipoxygenase-activating protein' and Ligand = 'BDBM50359059'   
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))
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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Article
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n/an/a 1.10n/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))
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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n/an/a 17n/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))
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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Article
PubMed
n/an/a 1.29E+3n/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