BDBM50386856 CHEMBL2048290

SMILES: OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1ccc(OC(F)(F)F)c(c1)C#N

InChI Key: InChIKey=ZFFWCKSPNMOLEL-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 = 50386856   

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))	BDBM50386856 (CHEMBL2048290) Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1ccc(OC(F)(F)F)c(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-18-6-3-13(7-14(18)10-27)22-29-21(30-34-22)12-2-5-17-16(8-12)15-4-1-11(9-19(31)32)20(15)28-17/h2-3,5-8,11,28H,1,4,9H2,(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	3.20	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay				Bioorg Med Chem Lett 22: 4404-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB
					More data for this Ligand-Target Pair