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BDBM36882 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-bis(oxidanyl)-2-(trifluoromethyl)chromen-4-one::3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxy-2-(trifluoromethyl)-1-benzopyran-4-one::3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxy-2-(trifluoromethyl)chromen-4-one::3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxy-2-(trifluoromethyl)chromone::MLS000038402::SMR000035462::cid_5389033

SMILES: Oc1cc(O)c2c(c1)oc(c(-c1ccc3OCCOc3c1)c2=O)C(F)(F)F

InChI Key: InChIKey=WRHCXHSYKVXVMV-UHFFFAOYSA-N

Data: 4 EC50

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 = 36882   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36882
PNG
(3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-bis(oxida...)
Show SMILES Oc1cc(O)c2c(c1)oc(c(-c1ccc3OCCOc3c1)c2=O)C(F)(F)F
Show InChI InChI=1S/C18H11F3O6/c19-18(20,21)17-14(8-1-2-11-12(5-8)26-4-3-25-11)16(24)15-10(23)6-9(22)7-13(15)27-17/h1-2,5-7,22-23H,3-4H2
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UniChem
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PCBioAssay
n/an/an/an/a 3.84E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Rattus norvegicus)
BDBM36882
PNG
(3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-bis(oxida...)
Show SMILES Oc1cc(O)c2c(c1)oc(c(-c1ccc3OCCOc3c1)c2=O)C(F)(F)F
Show InChI InChI=1S/C18H11F3O6/c19-18(20,21)17-14(8-1-2-11-12(5-8)26-4-3-25-11)16(24)15-10(23)6-9(22)7-13(15)27-17/h1-2,5-7,22-23H,3-4H2
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n/an/an/an/a 1.26E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WQ028B
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36882
PNG
(3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-bis(oxida...)
Show SMILES Oc1cc(O)c2c(c1)oc(c(-c1ccc3OCCOc3c1)c2=O)C(F)(F)F
Show InChI InChI=1S/C18H11F3O6/c19-18(20,21)17-14(8-1-2-11-12(5-8)26-4-3-25-11)16(24)15-10(23)6-9(22)7-13(15)27-17/h1-2,5-7,22-23H,3-4H2
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n/an/an/an/a 4.13E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36882
PNG
(3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-bis(oxida...)
Show SMILES Oc1cc(O)c2c(c1)oc(c(-c1ccc3OCCOc3c1)c2=O)C(F)(F)F
Show InChI InChI=1S/C18H11F3O6/c19-18(20,21)17-14(8-1-2-11-12(5-8)26-4-3-25-11)16(24)15-10(23)6-9(22)7-13(15)27-17/h1-2,5-7,22-23H,3-4H2
PDB

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PC cid
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UniChem
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PCBioAssay
n/an/an/an/a 1.84E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair