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SMILES: Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cncc(F)c4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1

InChI Key: InChIKey=GKVLLUZKLDCBMI-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50359084   
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
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50359084
PNG
(CHEMBL1922664)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cncc(F)c4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H38FN3O3S/c1-23-7-12-28(39-18-23)22-43-29-13-14-31-30(16-29)33(44-35(2,3)4)32(17-36(5,6)34(41)42)40(31)21-24-8-10-25(11-9-24)26-15-27(37)20-38-19-26/h7-16,18-20H,17,21-22H2,1-6H3,(H,41,42)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated TXB2 production in human whole blood after 30 mins by competitive enzyme immunoassay


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))
BDBM50359084
PNG
(CHEMBL1922664)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cncc(F)c4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H38FN3O3S/c1-23-7-12-28(39-18-23)22-43-29-13-14-31-30(16-29)33(44-35(2,3)4)32(17-36(5,6)34(41)42)40(31)21-24-8-10-25(11-9-24)26-15-27(37)20-38-19-26/h7-16,18-20H,17,21-22H2,1-6H3,(H,41,42)
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Article
PubMed
n/an/a 0.600n/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))
BDBM50359084
PNG
(CHEMBL1922664)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cncc(F)c4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H38FN3O3S/c1-23-7-12-28(39-18-23)22-43-29-13-14-31-30(16-29)33(44-35(2,3)4)32(17-36(5,6)34(41)42)40(31)21-24-8-10-25(11-9-24)26-15-27(37)20-38-19-26/h7-16,18-20H,17,21-22H2,1-6H3,(H,41,42)
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Article
PubMed
n/an/a 2.10n/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))
BDBM50359084
PNG
(CHEMBL1922664)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cncc(F)c4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H38FN3O3S/c1-23-7-12-28(39-18-23)22-43-29-13-14-31-30(16-29)33(44-35(2,3)4)32(17-36(5,6)34(41)42)40(31)21-24-8-10-25(11-9-24)26-15-27(37)20-38-19-26/h7-16,18-20H,17,21-22H2,1-6H3,(H,41,42)
PDB
MMDB

Reactome pathway
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B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 225n/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