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SMILES: CCOc1nc(cs1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1

InChI Key: InChIKey=JFNPTHBQIWJQNK-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50359076   
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))
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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PC sid
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n/an/a 419n/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
Arachidonate 5-lipoxygenase-activating protein


(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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n/an/a 1.40n/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))
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)
PDB
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UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.400n/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