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SMILES: CC1CCc2c(C1)c1cc(NS(=O)(=O)c3ccc(F)cc3)ccc1n2CC(O)=O

InChI Key: InChIKey=PTWZVTYHJNTFCV-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50162903   
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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162903
PNG
(CHEMBL359855 | [6-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES CC1CCc2c(C1)c1cc(NS(=O)(=O)c3ccc(F)cc3)ccc1n2CC(O)=O
Show InChI InChI=1S/C21H21FN2O4S/c1-13-2-8-19-17(10-13)18-11-15(5-9-20(18)24(19)12-21(25)26)23-29(27,28)16-6-3-14(22)4-7-16/h3-7,9,11,13,23H,2,8,10,12H2,1H3,(H,25,26)
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PC sid
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Article
PubMed
13n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50162903
PNG
(CHEMBL359855 | [6-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES CC1CCc2c(C1)c1cc(NS(=O)(=O)c3ccc(F)cc3)ccc1n2CC(O)=O
Show InChI InChI=1S/C21H21FN2O4S/c1-13-2-8-19-17(10-13)18-11-15(5-9-20(18)24(19)12-21(25)26)23-29(27,28)16-6-3-14(22)4-7-16/h3-7,9,11,13,23H,2,8,10,12H2,1H3,(H,25,26)
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antibodypedia
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Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 in hTP binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162903
PNG
(CHEMBL359855 | [6-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES CC1CCc2c(C1)c1cc(NS(=O)(=O)c3ccc(F)cc3)ccc1n2CC(O)=O
Show InChI InChI=1S/C21H21FN2O4S/c1-13-2-8-19-17(10-13)18-11-15(5-9-20(18)24(19)12-21(25)26)23-29(27,28)16-6-3-14(22)4-7-16/h3-7,9,11,13,23H,2,8,10,12H2,1H3,(H,25,26)
PDB

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KEGG

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 9.70n/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair