BDBM50333497 2-((R)-8-((R)-2-(4-fluorophenyl)-N-methylpropanamido)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-5-yl)acetic acid::CHEMBL1641811
SMILES: C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)c1ccc(F)cc1
InChI Key: InChIKey=YCLHCCNXVIOFPI-RHSMWYFYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50333497 (2-((R)-8-((R)-2-(4-fluorophenyl)-N-methylpropanami...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.40 | 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 Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay | Bioorg Med Chem Lett 21: 841-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.084 BindingDB Entry DOI: 10.7270/Q24J0FCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostanoid DP receptor (Homo sapiens (Human)) | BDBM50333497 (2-((R)-8-((R)-2-(4-fluorophenyl)-N-methylpropanami...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >3.80E+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 Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay | Bioorg Med Chem Lett 21: 841-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.084 BindingDB Entry DOI: 10.7270/Q24J0FCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostanoid TP receptor (Homo sapiens (Human)) | BDBM50333497 (2-((R)-8-((R)-2-(4-fluorophenyl)-N-methylpropanami...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >7.10E+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 Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay | Bioorg Med Chem Lett 21: 841-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.084 BindingDB Entry DOI: 10.7270/Q24J0FCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50333497 (2-((R)-8-((R)-2-(4-fluorophenyl)-N-methylpropanami...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20 | 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 in human eosinophil assessed as effect of cellular shape change by EOS assay | Bioorg Med Chem Lett 21: 841-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.084 BindingDB Entry DOI: 10.7270/Q24J0FCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50333497 (2-((R)-8-((R)-2-(4-fluorophenyl)-N-methylpropanami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | Bioorg Med Chem Lett 21: 841-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.084 BindingDB Entry DOI: 10.7270/Q24J0FCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50333497 (2-((R)-8-((R)-2-(4-fluorophenyl)-N-methylpropanami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of CYP2C9 | Bioorg Med Chem Lett 21: 841-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.084 BindingDB Entry DOI: 10.7270/Q24J0FCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50333497 (2-((R)-8-((R)-2-(4-fluorophenyl)-N-methylpropanami...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.70 | 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 CRTH2 expressed in HEK293 cells assessed as inhibition of forskolin-induced increase intracellular [125I]cAMP level by s... | Bioorg Med Chem Lett 21: 841-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.084 BindingDB Entry DOI: 10.7270/Q24J0FCP | |||||||||||
More data for this Ligand-Target Pair |