BDBM50136345 CHEMBL3753448

SMILES: CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl

InChI Key: InChIKey=GERZIJBHMGUQDR-CQSZACIVSA-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 = 50136345   

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))	BDBM50136345 (CHEMBL3753448) Show SMILES CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl |r| Show InChI InChI=1S/C21H24ClFN4O3/c1-11(2)4-15-6-13(5-12(3)25-15)21-26-20(27-30-21)16-7-18(23)19(8-17(16)22)29-10-14(24)9-28/h5-8,11,14,28H,4,9-10,24H2,1-3H3/t14-/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	20	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