BDBM50136540 CHEMBL3753059

SMILES: CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1ccc(OC[C@H]2COC(=O)N2)cc1

InChI Key: InChIKey=WZSCAKIPIQUIMB-INIZCTEOSA-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 = 50136540   

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))	BDBM50136540 (CHEMBL3753059) Show SMILES CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1ccc(OC[C@H]2COC(=O)N2)cc1 |r| Show InChI InChI=1S/C21H23N5O4/c1-12(2)22-18-9-15(8-13(3)23-18)20-25-19(26-30-20)14-4-6-17(7-5-14)28-10-16-11-29-21(27)24-16/h4-9,12,16H,10-11H2,1-3H3,(H,22,23)(H,24,27)/t16-/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	2.80	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