BDBM50136538 CHEMBL3754653

SMILES: CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1cc(F)c(O[C@H]2COC[C@H]2O)cc1Cl

InChI Key: InChIKey=XQJZYWZKLAIQJX-AEFFLSMTSA-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 = 50136538   

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))	BDBM50136538 (CHEMBL3754653) Show SMILES CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1cc(F)c(O[C@H]2COC[C@H]2O)cc1Cl |r| Show InChI InChI=1S/C21H22ClFN4O4/c1-10(2)24-19-5-12(4-11(3)25-19)21-26-20(27-31-21)13-6-15(23)17(7-14(13)22)30-18-9-29-8-16(18)28/h4-7,10,16,18,28H,8-9H2,1-3H3,(H,24,25)/t16-,18+/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	0.800	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