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BDBM50357290 CHEMBL1916697

SMILES: COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F

InChI Key: InChIKey=WGXIPXHUOIQNGL-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50357290   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50357290
PNG
(CHEMBL1916697)
Show SMILES COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-34-23-11-8-18(13-24(31)32)12-22(23)21-10-9-20(26(27,28)29)14-19(21)16-30(25(33)35-2)15-17-6-4-3-5-7-17/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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n/an/a 22n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 ...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50357290
PNG
(CHEMBL1916697)
Show SMILES COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-34-23-11-8-18(13-24(31)32)12-22(23)21-10-9-20(26(27,28)29)14-19(21)16-30(25(33)35-2)15-17-6-4-3-5-7-17/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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n/an/a 8n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50357290
PNG
(CHEMBL1916697)
Show SMILES COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-34-23-11-8-18(13-24(31)32)12-22(23)21-10-9-20(26(27,28)29)14-19(21)16-30(25(33)35-2)15-17-6-4-3-5-7-17/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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n/an/a 31n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % huma...


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50357290
PNG
(CHEMBL1916697)
Show SMILES COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-34-23-11-8-18(13-24(31)32)12-22(23)21-10-9-20(26(27,28)29)14-19(21)16-30(25(33)35-2)15-17-6-4-3-5-7-17/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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n/an/a 6.24E+4n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-SQ-29,548 from human TP receptor expressed in human platelet membranes


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50357290
PNG
(CHEMBL1916697)
Show SMILES COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-34-23-11-8-18(13-24(31)32)12-22(23)21-10-9-20(26(27,28)29)14-19(21)16-30(25(33)35-2)15-17-6-4-3-5-7-17/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50357290
PNG
(CHEMBL1916697)
Show SMILES COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-34-23-11-8-18(13-24(31)32)12-22(23)21-10-9-20(26(27,28)29)14-19(21)16-30(25(33)35-2)15-17-6-4-3-5-7-17/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50357290
PNG
(CHEMBL1916697)
Show SMILES COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-34-23-11-8-18(13-24(31)32)12-22(23)21-10-9-20(26(27,28)29)14-19(21)16-30(25(33)35-2)15-17-6-4-3-5-7-17/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human DP1 receptor expressed in human platelet membranes


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50357290
PNG
(CHEMBL1916697)
Show SMILES COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
Show InChI InChI=1S/C26H24F3NO5/c1-34-23-11-8-18(13-24(31)32)12-22(23)21-10-9-20(26(27,28)29)14-19(21)16-30(25(33)35-2)15-17-6-4-3-5-7-17/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 21: 6608-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.024
BindingDB Entry DOI: 10.7270/Q2513ZM9
More data for this
Ligand-Target Pair