BDBM50315560 (S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-2-(trifluoromethyl)phenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate::CHEMBL1090828
SMILES: C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1C(F)(F)F
InChI Key: InChIKey=YMBOZHBXRGFOHL-DEOSSOPVSA-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)) | BDBM50315560 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-2-(trif...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 700 | 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)) | BDBM50315560 ((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-2-(trif...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 6.40 | 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 |