BDBM50136549 CHEMBL3753198

SMILES: CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cnc(OC[C@H]2COC(=O)N2)cn1

InChI Key: InChIKey=ABZDAEIKVWOCAQ-HNNXBMFYSA-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 = 50136549   

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))	BDBM50136549 (CHEMBL3753198) Show SMILES CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cnc(OC[C@H]2COC(=O)N2)cn1 |r| Show InChI InChI=1S/C20H22N6O4/c1-11(2)4-14-6-13(5-12(3)23-14)19-25-18(26-30-19)16-7-22-17(8-21-16)28-9-15-10-29-20(27)24-15/h5-8,11,15H,4,9-10H2,1-3H3,(H,24,27)/t15-/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	200	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