BDBM50055554 CHEMBL3341931

SMILES: NC(CO)(CCc1ccc(cc1)-c1coc(Cc2ccc(F)cc2)n1)COP(O)(O)=O

InChI Key: InChIKey=ROWLEXIRBHVEMB-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50055554   

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))	BDBM50055554 (CHEMBL3341931) Show SMILES NC(CO)(CCc1ccc(cc1)-c1coc(Cc2ccc(F)cc2)n1)COP(O)(O)=O Show InChI InChI=1S/C21H24FN2O6P/c22-18-7-3-16(4-8-18)11-20-24-19(12-29-20)17-5-1-15(2-6-17)9-10-21(23,13-25)14-30-31(26,27)28/h1-8,12,25H,9-11,13-14,23H2,(H2,26,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	828	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay				Eur J Med Chem 85: 1-15 (2014) Article DOI: 10.1016/j.ejmech.2014.07.081 BindingDB Entry DOI: 10.7270/Q2X92D0T
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50055554 (CHEMBL3341931) Show SMILES NC(CO)(CCc1ccc(cc1)-c1coc(Cc2ccc(F)cc2)n1)COP(O)(O)=O Show InChI InChI=1S/C21H24FN2O6P/c22-18-7-3-16(4-8-18)11-20-24-19(12-29-20)17-5-1-15(2-6-17)9-10-21(23,13-25)14-30-31(26,27)28/h1-8,12,25H,9-11,13-14,23H2,(H2,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay				Eur J Med Chem 85: 1-15 (2014) Article DOI: 10.1016/j.ejmech.2014.07.081 BindingDB Entry DOI: 10.7270/Q2X92D0T
					More data for this Ligand-Target Pair