BDBM50136561 CHEMBL3752137

SMILES: CC(C)Oc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl

InChI Key: InChIKey=OAPXAIALAGVOLO-CYBMUJFWSA-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 = 50136561   

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))	BDBM50136561 (CHEMBL3752137) Show SMILES CC(C)Oc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl |r| Show InChI InChI=1S/C20H22ClFN4O3S/c1-10(2)29-18-5-12(4-11(3)24-18)19-25-26-20(30-19)14-6-16(22)17(7-15(14)21)28-9-13(23)8-27/h4-7,10,13,27H,8-9,23H2,1-3H3/t13-/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	130	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