BDBM50420174 CHEMBL2070837

SMILES: CC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=ZUHGEPQFEQZNCJ-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 = 50420174   

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))	BDBM50420174 (CHEMBL2070837) Show SMILES CC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H22BrF3N2O4S/c1-14(29)28-8-5-15-11-18(23)13-19(20(15)28)33(31,32)27-9-6-21(30,7-10-27)16-3-2-4-17(12-16)22(24,25)26/h2-4,11-13,30H,5-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Induction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assay				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair