BDBM50197420 (2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(hydroxymethyl)-3-(4-octylphenyl)pyrrolidin-1-ium::CHEMBL393055
SMILES: CCCCCCCCc1ccc(cc1)[C@H]1C[C@H](COP(O)([O-])=O)[NH2+][C@@H]1CO
InChI Key: InChIKey=DKHSWCUVNLYVPR-VAMGGRTRSA-N
Data: 7 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)) | BDBM50197420 ((2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Agonist activity at S1P1 receptor | Bioorg Med Chem Lett 21: 6739-45 (2011) Article DOI: 10.1016/j.bmcl.2011.09.049 BindingDB Entry DOI: 10.7270/Q2736RBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM50197420 ((2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 10.2 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Agonist activity at S1P5 receptor | Bioorg Med Chem Lett 21: 6739-45 (2011) Article DOI: 10.1016/j.bmcl.2011.09.049 BindingDB Entry DOI: 10.7270/Q2736RBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM50197420 ((2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... | Bioorg Med Chem Lett 21: 6739-45 (2011) Article DOI: 10.1016/j.bmcl.2011.09.049 BindingDB Entry DOI: 10.7270/Q2736RBP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50197420 ((2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Activity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay | Bioorg Med Chem Lett 17: 491-4 (2007) Article DOI: 10.1016/j.bmcl.2006.10.014 BindingDB Entry DOI: 10.7270/Q2028SCS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM50197420 ((2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Activity at human recombinant S1P4 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay | Bioorg Med Chem Lett 17: 491-4 (2007) Article DOI: 10.1016/j.bmcl.2006.10.014 BindingDB Entry DOI: 10.7270/Q2028SCS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM50197420 ((2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 10.2 | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Activity at human recombinant S1P5 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay | Bioorg Med Chem Lett 17: 491-4 (2007) Article DOI: 10.1016/j.bmcl.2006.10.014 BindingDB Entry DOI: 10.7270/Q2028SCS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50197420 ((2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Activity at human recombinant S1P3 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay | Bioorg Med Chem Lett 17: 491-4 (2007) Article DOI: 10.1016/j.bmcl.2006.10.014 BindingDB Entry DOI: 10.7270/Q2028SCS | |||||||||||
More data for this Ligand-Target Pair |