BDBM50041695 CHEMBL3358916

SMILES: CC(C)(C)Cc1ccc(COc2ccc3[nH]c4C(CC(O)=O)CCc4c3c2)cc1C(F)(F)F

InChI Key: InChIKey=AOTKRAFWIFBWNY-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 = 50041695   

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))	BDBM50041695 (CHEMBL3358916) Show SMILES CC(C)(C)Cc1ccc(COc2ccc3[nH]c4C(CC(O)=O)CCc4c3c2)cc1C(F)(F)F Show InChI InChI=1S/C26H28F3NO3/c1-25(2,3)13-17-5-4-15(10-21(17)26(27,28)29)14-33-18-7-9-22-20(12-18)19-8-6-16(11-23(31)32)24(19)30-22/h4-5,7,9-10,12,16,30H,6,8,11,13-14H2,1-3H3,(H,31,32)	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	56	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