BDBM50344991 2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl)biphenyl-2-yloxy)acetic acid::CHEMBL1778639

SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F

InChI Key InChIKey=KDOSMMYSHYZFQE-UHFFFAOYSA-N

Data  10 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50344991   

TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50344991(2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...)
Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)
Affinity DataIC50: 29nMAssay Description:Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-induced calcium flux in presence of 1% bovine serum...More data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50344991(2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...)
Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)
Affinity DataIC50: 0.900nMAssay Description:Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Cavia porcellus)
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50344991(2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...)
Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)
Affinity DataIC50: 63nMAssay Description:Binding affinity to guinea pig CRTh2 receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Rattus norvegicus)
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50344991(2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...)
Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)
Affinity DataIC50: 1.30nMAssay Description:Binding affinity to rat CRTh2 receptorMore data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50344991(2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...)
Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50344991(2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...)
Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50344991(2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...)
Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50344991(2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...)
Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50344991(2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...)
Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Mus musculus (mouse))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50344991(2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...)
Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)
Affinity DataIC50: 1nMAssay Description:Binding affinity to mouse CRTh2 receptorMore data for this Ligand-Target Pair