BDBM50333844 (R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid::CHEMBL1643783

SMILES: CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=OTGREDPOEXITQK-CQSZACIVSA-N

Data: 4 KI  5 IC50  1 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 10 hits for monomerid = 50333844   

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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50333844 ((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)15-8-5-13(22)6-9-15)14-7-10-19-17(11-20(26)27)16-3-2-4-18(23)21(16)25(19)12-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,26,27)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Prostanoid DP receptor (Homo sapiens (Human))	BDBM50333844 ((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)15-8-5-13(22)6-9-15)14-7-10-19-17(11-20(26)27)16-3-2-4-18(23)21(16)25(19)12-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,26,27)/t14-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to prostanoid DP1 receptor				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50333844 ((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)15-8-5-13(22)6-9-15)14-7-10-19-17(11-20(26)27)16-3-2-4-18(23)21(16)25(19)12-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,26,27)/t14-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to thromboxane receptor				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333844 ((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)15-8-5-13(22)6-9-15)14-7-10-19-17(11-20(26)27)16-3-2-4-18(23)21(16)25(19)12-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,26,27)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50333844 ((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)15-8-5-13(22)6-9-15)14-7-10-19-17(11-20(26)27)16-3-2-4-18(23)21(16)25(19)12-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,26,27)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of DK-PGD2-induced eosinophils shape change				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50333844 ((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)15-8-5-13(22)6-9-15)14-7-10-19-17(11-20(26)27)16-3-2-4-18(23)21(16)25(19)12-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,26,27)/t14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50333844 ((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)15-8-5-13(22)6-9-15)14-7-10-19-17(11-20(26)27)16-3-2-4-18(23)21(16)25(19)12-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,26,27)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50333844 ((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)15-8-5-13(22)6-9-15)14-7-10-19-17(11-20(26)27)16-3-2-4-18(23)21(16)25(19)12-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,26,27)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50333844 ((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)15-8-5-13(22)6-9-15)14-7-10-19-17(11-20(26)27)16-3-2-4-18(23)21(16)25(19)12-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,26,27)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Induction of pregnane X receptor				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50333844 ((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)15-8-5-13(22)6-9-15)14-7-10-19-17(11-20(26)27)16-3-2-4-18(23)21(16)25(19)12-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,26,27)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRTH2 receptor expressed in HEK293 cells assessed as inhibition of DK-PGD2-induced intracellular cAMP format...				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair