BDBM50041697 CHEMBL3358915

SMILES: CCCc1ccc(COc2ccc3[nH]c4C(CC(O)=O)CCc4c3c2)cc1C(F)(F)F

InChI Key: InChIKey=ZVIVSGXTURPMNI-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 = 50041697   

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))	BDBM50041697 (CHEMBL3358915) Show SMILES CCCc1ccc(COc2ccc3[nH]c4C(CC(O)=O)CCc4c3c2)cc1C(F)(F)F Show InChI InChI=1S/C24H24F3NO3/c1-2-3-15-5-4-14(10-20(15)24(25,26)27)13-31-17-7-9-21-19(12-17)18-8-6-16(11-22(29)30)23(18)28-21/h4-5,7,9-10,12,16,28H,2-3,6,8,11,13H2,1H3,(H,29,30)	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	0.490	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