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BDBM50182304 7-((3-fluoro-5-(3-hydroxypentan-3-yl)phenoxy)methyl)-4-(furan-3-yl)-2H-chromen-2-one::CHEMBL204365

SMILES: CCC(O)(CC)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1

InChI Key: InChIKey=SYSAVWZJCBIDKF-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50182304   
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


(Homo sapiens (Human))
BDBM50182304
PNG
(7-((3-fluoro-5-(3-hydroxypentan-3-yl)phenoxy)methy...)
Show SMILES CCC(O)(CC)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1
Show InChI InChI=1S/C25H23FO5/c1-3-25(28,4-2)18-10-19(26)12-20(11-18)30-14-16-5-6-21-22(17-7-8-29-15-17)13-24(27)31-23(21)9-16/h5-13,15,28H,3-4,14H2,1-2H3
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PubMed
n/an/a 0.900n/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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182304
PNG
(7-((3-fluoro-5-(3-hydroxypentan-3-yl)phenoxy)methy...)
Show SMILES CCC(O)(CC)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1
Show InChI InChI=1S/C25H23FO5/c1-3-25(28,4-2)18-10-19(26)12-20(11-18)30-14-16-5-6-21-22(17-7-8-29-15-17)13-24(27)31-23(21)9-16/h5-13,15,28H,3-4,14H2,1-2H3
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Article
PubMed
n/an/a 15n/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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182304
PNG
(7-((3-fluoro-5-(3-hydroxypentan-3-yl)phenoxy)methy...)
Show SMILES CCC(O)(CC)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1
Show InChI InChI=1S/C25H23FO5/c1-3-25(28,4-2)18-10-19(26)12-20(11-18)30-14-16-5-6-21-22(17-7-8-29-15-17)13-24(27)31-23(21)9-16/h5-13,15,28H,3-4,14H2,1-2H3
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 89n/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