BDBM50249240 (S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate::CHEMBL475405
SMILES: C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1
InChI Key: InChIKey=NOERNAQPKCFUKL-DEOSSOPVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50249240 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...) | 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 | 1.05 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor | Bioorg Med Chem Lett 19: 2315-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50249240 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor | Bioorg Med Chem Lett 19: 2315-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM50249240 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.17 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor | Bioorg Med Chem Lett 19: 2315-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50249240 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...) | 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 | 47.3 | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc Curated by ChEMBL | Assay Description Agonist activity at human S1P3 receptor assessed as stimulation of [35S]GTPgammaS binding | Bioorg Med Chem Lett 19: 2315-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM50249240 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor | Bioorg Med Chem Lett 19: 2315-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50249240 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...) | 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 | 120 | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc Curated by ChEMBL | Assay Description Antagonist activity at human S1P3 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin... | Bioorg Med Chem Lett 20: 2520-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.098 BindingDB Entry DOI: 10.7270/Q2XS5VJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50249240 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...) | 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 | 1.05 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting | Bioorg Med Chem Lett 20: 2520-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.098 BindingDB Entry DOI: 10.7270/Q2XS5VJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50249240 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting | Bioorg Med Chem Lett 20: 2520-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.098 BindingDB Entry DOI: 10.7270/Q2XS5VJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM50249240 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor expressed in HEK293T cells after 60 mins by scintillation counting | Bioorg Med Chem Lett 20: 2520-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.098 BindingDB Entry DOI: 10.7270/Q2XS5VJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM50249240 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 43.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc Curated by ChEMBL | Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor expressed in HEK293T cells after 60 mins by scintillation counting | Bioorg Med Chem Lett 20: 2520-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.098 BindingDB Entry DOI: 10.7270/Q2XS5VJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50249240 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...) | 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 | 0.520 | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc Curated by ChEMBL | Assay Description Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin... | Bioorg Med Chem Lett 20: 2520-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.098 BindingDB Entry DOI: 10.7270/Q2XS5VJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50249240 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...) | 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 | 56.1 | n/a | n/a | n/a | n/a |
Praecis Pharmaceuticals Inc Curated by ChEMBL | Assay Description Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding | Bioorg Med Chem Lett 19: 2315-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ | |||||||||||
More data for this Ligand-Target Pair |