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BDBM50182299 7-((3-fluoro-5-(1-hydroxy-1-(pyridin-2-yl)propyl)phenoxy)methyl)-4-(furan-3-yl)-2H-chromen-2-one::CHEMBL204633

SMILES: CCC(O)(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)c1ccccn1

InChI Key: InChIKey=LSZLSTWIIZGABA-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 = 50182299   
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))
BDBM50182299
PNG
(7-((3-fluoro-5-(1-hydroxy-1-(pyridin-2-yl)propyl)p...)
Show SMILES CCC(O)(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)c1ccccn1
Show InChI InChI=1S/C28H22FNO5/c1-2-28(32,26-5-3-4-9-30-26)20-12-21(29)14-22(13-20)34-16-18-6-7-23-24(19-8-10-33-17-19)15-27(31)35-25(23)11-18/h3-15,17,32H,2,16H2,1H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 360n/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))
BDBM50182299
PNG
(7-((3-fluoro-5-(1-hydroxy-1-(pyridin-2-yl)propyl)p...)
Show SMILES CCC(O)(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)c1ccccn1
Show InChI InChI=1S/C28H22FNO5/c1-2-28(32,26-5-3-4-9-30-26)20-12-21(29)14-22(13-20)34-16-18-6-7-23-24(19-8-10-33-17-19)15-27(31)35-25(23)11-18/h3-15,17,32H,2,16H2,1H3
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PC sid
UniChem
Article
PubMed
n/an/a 3.70n/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))
BDBM50182299
PNG
(7-((3-fluoro-5-(1-hydroxy-1-(pyridin-2-yl)propyl)p...)
Show SMILES CCC(O)(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)c1ccccn1
Show InChI InChI=1S/C28H22FNO5/c1-2-28(32,26-5-3-4-9-30-26)20-12-21(29)14-22(13-20)34-16-18-6-7-23-24(19-8-10-33-17-19)15-27(31)35-25(23)11-18/h3-15,17,32H,2,16H2,1H3
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 175n/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