BDBM50041987 CHEMBL3359516

SMILES: OC(=O)CC1CCn2c1cc1cc(OCc3ccc(C#N)c(c3)C(F)(F)F)ccc21

InChI Key: InChIKey=YYYIRGICSGJFRZ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50041987   

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))	BDBM50041987 (CHEMBL3359516) Show SMILES OC(=O)CC1CCn2c1cc1cc(OCc3ccc(C#N)c(c3)C(F)(F)F)ccc21 Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)18-7-13(1-2-15(18)11-26)12-30-17-3-4-19-16(8-17)9-20-14(10-21(28)29)5-6-27(19)20/h1-4,7-9,14H,5-6,10,12H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair