BDBM50136341 CHEMBL3752990

SMILES: CCOc1ncc(cc1Cl)-c1nc(no1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl

InChI Key: InChIKey=NKKFYBSWGXNTAK-SNVBAGLBSA-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 = 50136341   

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))	BDBM50136341 (CHEMBL3752990) Show SMILES CCOc1ncc(cc1Cl)-c1nc(no1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl |r| Show InChI InChI=1S/C18H17Cl2FN4O4/c1-2-27-18-13(20)3-9(6-23-18)17-24-16(25-29-17)11-4-14(21)15(5-12(11)19)28-8-10(22)7-26/h3-6,10,26H,2,7-8,22H2,1H3/t10-/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	62	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