BDBM50315551 (S)-methyl 5-(2-amino-2-methyl-3-(phosphonooxy)propanamido)-2-(2-(biphenyl-4-yl)ethoxy)benzoate::CHEMBL1092190
SMILES: COC(=O)c1cc(NC(=O)[C@@](C)(N)COP(O)(O)=O)ccc1OCCc1ccc(cc1)-c1ccccc1
InChI Key: InChIKey=GUDHOVSDMARPGH-SANMLTNESA-N
Data: 2 IC50
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 3 (Homo sapiens (Human)) | BDBM50315551 ((S)-methyl 5-(2-amino-2-methyl-3-(phosphonooxy)pro...) | 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 | >1.00E+4 | 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 1 (Homo sapiens (Human)) | BDBM50315551 ((S)-methyl 5-(2-amino-2-methyl-3-(phosphonooxy)pro...) | 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 | 21 | 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 |