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BDBM50182302 7-((3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy)methyl)-4-(4-fluorophenyl)-2H-chromen-2-one::CHEMBL205189

SMILES: OC(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)c1)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=OMQQHOOVZKMQNO-UHFFFAOYSA-N

Data: 3 IC50

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 = 50182302   
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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50182302
PNG
(7-((3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypr...)
Show SMILES OC(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H14F8O4/c26-16-4-2-14(3-5-16)20-11-22(34)37-21-7-13(1-6-19(20)21)12-36-18-9-15(8-17(27)10-18)23(35,24(28,29)30)25(31,32)33/h1-11,35H,12H2
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A23187-stimulated human whole blood


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50182302
PNG
(7-((3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypr...)
Show SMILES OC(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H14F8O4/c26-16-4-2-14(3-5-16)20-11-22(34)37-21-7-13(1-6-19(20)21)12-36-18-9-15(8-17(27)10-18)23(35,24(28,29)30)25(31,32)33/h1-11,35H,12H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50182302
PNG
(7-((3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypr...)
Show SMILES OC(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H14F8O4/c26-16-4-2-14(3-5-16)20-11-22(34)37-21-7-13(1-6-19(20)21)12-36-18-9-15(8-17(27)10-18)23(35,24(28,29)30)25(31,32)33/h1-11,35H,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human 5-LO


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair