BDBM50114068 CHEMBL3605538

SMILES: CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(C)c1

InChI Key: InChIKey=KKOPJSVSPWYFMA-CYBMUJFWSA-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 = 50114068   

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))	BDBM50114068 (CHEMBL3605538) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C21H23F3N4O3S/c1-5-28-19-11-15(21(22,23)24)6-8-18(19)26-20(28)13(3)27-32(30,31)16-7-9-17(12(2)10-16)25-14(4)29/h6-11,13,27H,5H2,1-4H3,(H,25,29)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair