BDBM50164500 CHEMBL3800091
SMILES: CC(C)Cc1onc(-c2nc(no2)-c2ccc(CN3CC(C3)C(O)=O)cc2)c1C(F)(F)F
InChI Key: InChIKey=KKZAKGKOIPIRBJ-UHFFFAOYSA-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 3 (Homo sapiens (Human)) | BDBM50164500 (CHEMBL3800091) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay | J Med Chem 59: 2820-40 (2016) BindingDB Entry DOI: 10.7270/Q2HH6N0K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50164500 (CHEMBL3800091) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.390 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay | J Med Chem 59: 2820-40 (2016) BindingDB Entry DOI: 10.7270/Q2HH6N0K | |||||||||||
More data for this Ligand-Target Pair |