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SMILES: CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(C(=O)CC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1

InChI Key: InChIKey=VHJXMQOKXJGXPO-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50359092   
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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 1.5n/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))
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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n/an/a 2.00E+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 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))
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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n/an/a 29n/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))
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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PubMed
n/an/a 1.58E+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