BDBM50209024 CHEMBL3884986

SMILES: OC(=O)CCCNCc1cc2cccc(-c3cccc4ccccc34)c2s1

InChI Key: InChIKey=VUBNMHBIPDCZDK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50209024   

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 4 (Homo sapiens (Human))	BDBM50209024 (CHEMBL3884986) Show SMILES OC(=O)CCCNCc1cc2cccc(-c3cccc4ccccc34)c2s1 Show InChI InChI=1S/C23H21NO2S/c25-22(26)12-5-13-24-15-18-14-17-8-4-11-21(23(17)27-18)20-10-3-7-16-6-1-2-9-19(16)20/h1-4,6-11,14,24H,5,12-13,15H2,(H,25,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...				Bioorg Med Chem Lett 27: 1-5 (2017) Article DOI: 10.1016/j.bmcl.2016.11.050 BindingDB Entry DOI: 10.7270/Q241702R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50209024 (CHEMBL3884986) Show SMILES OC(=O)CCCNCc1cc2cccc(-c3cccc4ccccc34)c2s1 Show InChI InChI=1S/C23H21NO2S/c25-22(26)12-5-13-24-15-18-14-17-8-4-11-21(23(17)27-18)20-10-3-7-16-6-1-2-9-19(16)20/h1-4,6-11,14,24H,5,12-13,15H2,(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...				Bioorg Med Chem Lett 27: 1-5 (2017) Article DOI: 10.1016/j.bmcl.2016.11.050 BindingDB Entry DOI: 10.7270/Q241702R
					More data for this Ligand-Target Pair