BDBM50335513 1-((3-fluoro-4-(5-((R)-1-phenylethyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)methyl)azetidine-3-carboxylic acid::CHEMBL1651859
SMILES: C[C@H](c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
InChI Key: InChIKey=CXOPPLGMWBBMQK-OAHLLOKOSA-N
Data: 2 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)) | BDBM50335513 (1-((3-fluoro-4-(5-((R)-1-phenylethyl)thiazolo[5,4-...) | PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 38 | 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: 107-112 (2011) Article DOI: 10.1021/ml100306h BindingDB Entry DOI: 10.7270/Q2H995G4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50335513 (1-((3-fluoro-4-(5-((R)-1-phenylethyl)thiazolo[5,4-...) | PDB NCI pathway Reactome pathway KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 996 | 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: 107-112 (2011) Article DOI: 10.1021/ml100306h BindingDB Entry DOI: 10.7270/Q2H995G4 | |||||||||||
More data for this Ligand-Target Pair |