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SMILES: Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccccn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1

InChI Key: InChIKey=UGAVYVQBJKBLTG-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 4 hits for monomerid = 50359086   
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))
BDBM50359086
PNG
(CHEMBL1922666)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccccn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H39N3O3S/c1-24-10-15-27(38-21-24)23-42-28-16-17-31-29(19-28)33(43-35(2,3)4)32(20-36(5,6)34(40)41)39(31)22-25-11-13-26(14-12-25)30-9-7-8-18-37-30/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.00E+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))
BDBM50359086
PNG
(CHEMBL1922666)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccccn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H39N3O3S/c1-24-10-15-27(38-21-24)23-42-28-16-17-31-29(19-28)33(43-35(2,3)4)32(20-36(5,6)34(40)41)39(31)22-25-11-13-26(14-12-25)30-9-7-8-18-37-30/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)
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PC sid
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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))
BDBM50359086
PNG
(CHEMBL1922666)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccccn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H39N3O3S/c1-24-10-15-27(38-21-24)23-42-28-16-17-31-29(19-28)33(43-35(2,3)4)32(20-36(5,6)34(40)41)39(31)22-25-11-13-26(14-12-25)30-9-7-8-18-37-30/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)
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Article
PubMed
n/an/a 1.30n/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))
BDBM50359086
PNG
(CHEMBL1922666)
Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccccn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Show InChI InChI=1S/C36H39N3O3S/c1-24-10-15-27(38-21-24)23-42-28-16-17-31-29(19-28)33(43-35(2,3)4)32(20-36(5,6)34(40)41)39(31)22-25-11-13-26(14-12-25)30-9-7-8-18-37-30/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)
PDB
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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 285n/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