BDBM50419960 CHEMBL2011732

SMILES: CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)-c1ccc(CO)cc1

InChI Key: InChIKey=RDJSKIZYRGYPBH-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 = 50419960   

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))	BDBM50419960 (CHEMBL2011732) Show SMILES CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)-c1ccc(CO)cc1 Show InChI InChI=1S/C21H20F3N3O2S/c1-2-3-12-27(19(29)16-8-10-17(11-9-16)21(22,23)24)20-26-25-18(30-20)15-6-4-14(13-28)5-7-15/h4-11,28H,2-3,12-13H2,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P3R expressed in HEK293T cells by Ca(2+) mobilization assay				Bioorg Med Chem Lett 22: 2456-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.016 BindingDB Entry DOI: 10.7270/Q2571D1C
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50419960 (CHEMBL2011732) Show SMILES CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)-c1ccc(CO)cc1 Show InChI InChI=1S/C21H20F3N3O2S/c1-2-3-12-27(19(29)16-8-10-17(11-9-16)21(22,23)24)20-26-25-18(30-20)15-6-4-14(13-28)5-7-15/h4-11,28H,2-3,12-13H2,1H3	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	12.6	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase r...				Bioorg Med Chem Lett 22: 2456-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.016 BindingDB Entry DOI: 10.7270/Q2571D1C
					More data for this Ligand-Target Pair