BDBM50041705 CHEMBL3358910

SMILES: OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCCC4)c(c3)C#N)cc21

InChI Key: InChIKey=MXDFMHPXBSLFHN-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 = 50041705   

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))	BDBM50041705 (CHEMBL3358910) Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCCC4)c(c3)C#N)cc21 Show InChI InChI=1S/C27H28N2O3/c28-15-20-12-17(6-9-22(20)18-4-2-1-3-5-18)16-32-21-8-11-25-24(14-21)23-10-7-19(13-26(30)31)27(23)29-25/h6,8-9,11-12,14,18-19,29H,1-5,7,10,13,16H2,(H,30,31)	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	0.0870	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: 1313-7 (2014) Article DOI: 10.1021/ml500389m BindingDB Entry DOI: 10.7270/Q29W0H4C
					More data for this Ligand-Target Pair