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

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 10 hits for monomerid = 50344991   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344991 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay 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...				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344991 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Cavia porcellus)	BDBM50344991 (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)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Binding affinity to guinea pig CRTh2 receptor				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Rattus norvegicus)	BDBM50344991 (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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Binding affinity to rat CRTh2 receptor				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50344991 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50344991 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50344991 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50344991 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50344991 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Mus musculus (mouse))	BDBM50344991 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Binding affinity to mouse CRTh2 receptor				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair