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BDBM54799 2-(2,3,4,5,6-pentafluorophenyl)-1-benzopyran-4-one::2-(2,3,4,5,6-pentafluorophenyl)chromen-4-one::2-(2,3,4,5,6-pentafluorophenyl)chromone::2-[2,3,4,5,6-pentakis(fluoranyl)phenyl]chromen-4-one::MLS000568955::SMR000149965::cid_2055076

SMILES: Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2ccccc2o1

InChI Key: InChIKey=WMFDCMTYCGPZOP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 54799   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54799
PNG
(2-(2,3,4,5,6-pentafluorophenyl)-1-benzopyran-4-one...)
Show SMILES Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H5F5O2/c16-11-10(12(17)14(19)15(20)13(11)18)9-5-7(21)6-3-1-2-4-8(6)22-9/h1-5H
PDB

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PCBioAssay
n/an/a 1.81E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM54799
PNG
(2-(2,3,4,5,6-pentafluorophenyl)-1-benzopyran-4-one...)
Show SMILES Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H5F5O2/c16-11-10(12(17)14(19)15(20)13(11)18)9-5-7(21)6-3-1-2-4-8(6)22-9/h1-5H
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n/an/a 694n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM54799
PNG
(2-(2,3,4,5,6-pentafluorophenyl)-1-benzopyran-4-one...)
Show SMILES Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H5F5O2/c16-11-10(12(17)14(19)15(20)13(11)18)9-5-7(21)6-3-1-2-4-8(6)22-9/h1-5H
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n/an/a 1.07E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB808D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54799
PNG
(2-(2,3,4,5,6-pentafluorophenyl)-1-benzopyran-4-one...)
Show SMILES Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H5F5O2/c16-11-10(12(17)14(19)15(20)13(11)18)9-5-7(21)6-3-1-2-4-8(6)22-9/h1-5H
PDB

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KEGG

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n/an/a 3.32E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair