BDBM50136392 CHEMBL3751872

SMILES: CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1cc(F)c(OC[C@H]2CCC(=O)N2)cc1Cl

InChI Key: InChIKey=FCCOWPIOFUJSTA-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 = 50136392   

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))	BDBM50136392 (CHEMBL3751872) Show SMILES CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1cc(F)c(OC[C@H]2CCC(=O)N2)cc1Cl |r| Show InChI InChI=1S/C22H23ClFN5O3/c1-11(2)25-19-7-13(6-12(3)26-19)22-28-21(29-32-22)15-8-17(24)18(9-16(15)23)31-10-14-4-5-20(30)27-14/h6-9,11,14H,4-5,10H2,1-3H3,(H,25,26)(H,27,30)/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	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