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
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 |
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G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50333844 ((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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 |