BDBM50335459 1-(4-(5-butoxybenzofuran-2-yl)-3-methoxybenzyl)azetidine-3-carboxylic acid::CHEMBL1651713
SMILES: CCCCOc1ccc2oc(cc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1OC
InChI Key: InChIKey=BFJBNYIYUUPKMY-UHFFFAOYSA-N
Data: 3 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50335459 (1-(4-(5-butoxybenzofuran-2-yl)-3-methoxybenzyl)aze...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | ACS Med Chem Lett 2: 97-101 (2011) Article DOI: 10.1021/ml100227q BindingDB Entry DOI: 10.7270/Q2WM1DP6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50335459 (1-(4-(5-butoxybenzofuran-2-yl)-3-methoxybenzyl)aze...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 653 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy | ACS Med Chem Lett 2: 97-101 (2011) Article DOI: 10.1021/ml100227q BindingDB Entry DOI: 10.7270/Q2WM1DP6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50335459 (1-(4-(5-butoxybenzofuran-2-yl)-3-methoxybenzyl)aze...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay | ACS Med Chem Lett 2: 97-101 (2011) Article DOI: 10.1021/ml100227q BindingDB Entry DOI: 10.7270/Q2WM1DP6 | |||||||||||
More data for this Ligand-Target Pair |