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SMILES: COc1ccccc1-c1c(oc2cc(OC(=O)c3ccco3)ccc2c1=O)C(F)(F)F

InChI Key: InChIKey=GSSOKXPOXOMGAM-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 = 40402   
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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40402
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-4-oxo-...)
Show SMILES COc1ccccc1-c1c(oc2cc(OC(=O)c3ccco3)ccc2c1=O)C(F)(F)F |(7.08,-4.42,;7.08,-2.88,;5.75,-2.11,;4.41,-2.88,;3.08,-2.11,;3.08,-.57,;4.41,.2,;5.75,-.57,;7.08,.2,;7.08,1.74,;8.41,2.51,;9.75,1.74,;11.13,2.57,;12.52,1.77,;13.85,2.55,;15.19,1.78,;15.19,.24,;16.52,2.56,;16.67,4.09,;18.18,4.42,;18.95,3.09,;17.93,1.94,;12.52,.17,;11.13,-.62,;9.75,.2,;8.41,-.57,;8.41,-2.11,;5.75,2.51,;4.41,3.28,;6.52,3.85,;4.98,1.18,)|
Show InChI InChI=1S/C22H13F3O6/c1-28-15-6-3-2-5-13(15)18-19(26)14-9-8-12(30-21(27)16-7-4-10-29-16)11-17(14)31-20(18)22(23,24)25/h2-11H,1H3
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PC cid
PC sid
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PCBioAssay
1.10E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM40402
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-4-oxo-...)
Show SMILES COc1ccccc1-c1c(oc2cc(OC(=O)c3ccco3)ccc2c1=O)C(F)(F)F |(7.08,-4.42,;7.08,-2.88,;5.75,-2.11,;4.41,-2.88,;3.08,-2.11,;3.08,-.57,;4.41,.2,;5.75,-.57,;7.08,.2,;7.08,1.74,;8.41,2.51,;9.75,1.74,;11.13,2.57,;12.52,1.77,;13.85,2.55,;15.19,1.78,;15.19,.24,;16.52,2.56,;16.67,4.09,;18.18,4.42,;18.95,3.09,;17.93,1.94,;12.52,.17,;11.13,-.62,;9.75,.2,;8.41,-.57,;8.41,-2.11,;5.75,2.51,;4.41,3.28,;6.52,3.85,;4.98,1.18,)|
Show InChI InChI=1S/C22H13F3O6/c1-28-15-6-3-2-5-13(15)18-19(26)14-9-8-12(30-21(27)16-7-4-10-29-16)11-17(14)31-20(18)22(23,24)25/h2-11H,1H3
PDB

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>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26M3571
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40402
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-4-oxo-...)
Show SMILES COc1ccccc1-c1c(oc2cc(OC(=O)c3ccco3)ccc2c1=O)C(F)(F)F |(7.08,-4.42,;7.08,-2.88,;5.75,-2.11,;4.41,-2.88,;3.08,-2.11,;3.08,-.57,;4.41,.2,;5.75,-.57,;7.08,.2,;7.08,1.74,;8.41,2.51,;9.75,1.74,;11.13,2.57,;12.52,1.77,;13.85,2.55,;15.19,1.78,;15.19,.24,;16.52,2.56,;16.67,4.09,;18.18,4.42,;18.95,3.09,;17.93,1.94,;12.52,.17,;11.13,-.62,;9.75,.2,;8.41,-.57,;8.41,-2.11,;5.75,2.51,;4.41,3.28,;6.52,3.85,;4.98,1.18,)|
Show InChI InChI=1S/C22H13F3O6/c1-28-15-6-3-2-5-13(15)18-19(26)14-9-8-12(30-21(27)16-7-4-10-29-16)11-17(14)31-20(18)22(23,24)25/h2-11H,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TB1590
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM40402
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-4-oxo-...)
Show SMILES COc1ccccc1-c1c(oc2cc(OC(=O)c3ccco3)ccc2c1=O)C(F)(F)F |(7.08,-4.42,;7.08,-2.88,;5.75,-2.11,;4.41,-2.88,;3.08,-2.11,;3.08,-.57,;4.41,.2,;5.75,-.57,;7.08,.2,;7.08,1.74,;8.41,2.51,;9.75,1.74,;11.13,2.57,;12.52,1.77,;13.85,2.55,;15.19,1.78,;15.19,.24,;16.52,2.56,;16.67,4.09,;18.18,4.42,;18.95,3.09,;17.93,1.94,;12.52,.17,;11.13,-.62,;9.75,.2,;8.41,-.57,;8.41,-2.11,;5.75,2.51,;4.41,3.28,;6.52,3.85,;4.98,1.18,)|
Show InChI InChI=1S/C22H13F3O6/c1-28-15-6-3-2-5-13(15)18-19(26)14-9-8-12(30-21(27)16-7-4-10-29-16)11-17(14)31-20(18)22(23,24)25/h2-11H,1H3
PDB

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n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q22V2DH9
More data for this
Ligand-Target Pair