BindingDB logo
myBDB logout

null

SMILES: COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc5cc(C)ccc5n4)ccc23)cc1

InChI Key: InChIKey=JIIIXMIQTKYOKR-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 = 50359056   
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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.88E+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
Arachidonate 5-lipoxygenase-activating protein


(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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 148n/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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/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