BDBM50136547 CHEMBL3752968

SMILES: CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cnc(OC[C@H]2COC(=O)N2)c(C)c1

InChI Key: InChIKey=JCTXWVZMEJDVGZ-SFHVURJKSA-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 = 50136547   

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))	BDBM50136547 (CHEMBL3752968) Show SMILES CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cnc(OC[C@H]2COC(=O)N2)c(C)c1 |r| Show InChI InChI=1S/C22H25N5O4/c1-12(2)5-17-8-15(7-14(4)24-17)21-26-19(27-31-21)16-6-13(3)20(23-9-16)29-10-18-11-30-22(28)25-18/h6-9,12,18H,5,10-11H2,1-4H3,(H,25,28)/t18-/m0/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	1.40	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