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

InChI Key: InChIKey=ZUHNSEPBGTTZQI-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 7 hits for monomerid = 37759   
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))
BDBM37759
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-2-meth...)
Show SMILES COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O |(3.08,1.74,;4.41,.97,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;5.75,-1.34,;7.08,-.57,;7.08,.97,;5.75,1.74,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;16.67,3.32,;18.18,3.65,;18.95,2.32,;17.93,1.17,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,)|
Show InChI InChI=1S/C22H16O6/c1-13-20(15-6-3-4-7-17(15)25-2)21(23)16-10-9-14(12-19(16)27-13)28-22(24)18-8-5-11-26-18/h3-12H,1-2H3
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5.90E+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/Q2NZ862K
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37759
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-2-meth...)
Show SMILES COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O |(3.08,1.74,;4.41,.97,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;5.75,-1.34,;7.08,-.57,;7.08,.97,;5.75,1.74,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;16.67,3.32,;18.18,3.65,;18.95,2.32,;17.93,1.17,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,)|
Show InChI InChI=1S/C22H16O6/c1-13-20(15-6-3-4-7-17(15)25-2)21(23)16-10-9-14(12-19(16)27-13)28-22(24)18-8-5-11-26-18/h3-12H,1-2H3
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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/Q2DF6PMF
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM37759
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-2-meth...)
Show SMILES COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O |(3.08,1.74,;4.41,.97,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;5.75,-1.34,;7.08,-.57,;7.08,.97,;5.75,1.74,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;16.67,3.32,;18.18,3.65,;18.95,2.32,;17.93,1.17,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,)|
Show InChI InChI=1S/C22H16O6/c1-13-20(15-6-3-4-7-17(15)25-2)21(23)16-10-9-14(12-19(16)27-13)28-22(24)18-8-5-11-26-18/h3-12H,1-2H3
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MMDB

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n/an/an/an/a 2.38E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase


(Mycobacterium tuberculosis (strain H37Rv))
BDBM37759
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-2-meth...)
Show SMILES COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O |(3.08,1.74,;4.41,.97,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;5.75,-1.34,;7.08,-.57,;7.08,.97,;5.75,1.74,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;16.67,3.32,;18.18,3.65,;18.95,2.32,;17.93,1.17,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,)|
Show InChI InChI=1S/C22H16O6/c1-13-20(15-6-3-4-7-17(15)25-2)21(23)16-10-9-14(12-19(16)27-13)28-22(24)18-8-5-11-26-18/h3-12H,1-2H3
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n/an/a 1.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25719N6
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37759
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-2-meth...)
Show SMILES COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O |(3.08,1.74,;4.41,.97,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;5.75,-1.34,;7.08,-.57,;7.08,.97,;5.75,1.74,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;16.67,3.32,;18.18,3.65,;18.95,2.32,;17.93,1.17,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,)|
Show InChI InChI=1S/C22H16O6/c1-13-20(15-6-3-4-7-17(15)25-2)21(23)16-10-9-14(12-19(16)27-13)28-22(24)18-8-5-11-26-18/h3-12H,1-2H3
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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/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37759
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-2-meth...)
Show SMILES COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O |(3.08,1.74,;4.41,.97,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;5.75,-1.34,;7.08,-.57,;7.08,.97,;5.75,1.74,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;16.67,3.32,;18.18,3.65,;18.95,2.32,;17.93,1.17,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,)|
Show InChI InChI=1S/C22H16O6/c1-13-20(15-6-3-4-7-17(15)25-2)21(23)16-10-9-14(12-19(16)27-13)28-22(24)18-8-5-11-26-18/h3-12H,1-2H3
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n/an/a 9.00E+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/Q2J67FB5
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM37759
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-2-meth...)
Show SMILES COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O |(3.08,1.74,;4.41,.97,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;5.75,-1.34,;7.08,-.57,;7.08,.97,;5.75,1.74,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;16.67,3.32,;18.18,3.65,;18.95,2.32,;17.93,1.17,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,)|
Show InChI InChI=1S/C22H16O6/c1-13-20(15-6-3-4-7-17(15)25-2)21(23)16-10-9-14(12-19(16)27-13)28-22(24)18-8-5-11-26-18/h3-12H,1-2H3
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MMDB

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n/an/an/an/a 7.76E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair