BDBM50136559 CHEMBL3754354

SMILES: CC(C)Oc1ncc(cc1Cl)-c1nnc(s1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl

InChI Key: InChIKey=XOSPOLJJWGBMHU-LLVKDONJSA-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 = 50136559   

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))	BDBM50136559 (CHEMBL3754354) Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nnc(s1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl |r| Show InChI InChI=1S/C19H19Cl2FN4O3S/c1-9(2)29-17-14(21)3-10(6-24-17)18-25-26-19(30-18)12-4-15(22)16(5-13(12)20)28-8-11(23)7-27/h3-6,9,11,27H,7-8,23H2,1-2H3/t11-/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	100	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...				Bioorg Med Chem Lett 26: 466-71 (2016) BindingDB Entry DOI: 10.7270/Q2GX4DD4
					More data for this Ligand-Target Pair