BDBM50208996 CHEMBL3884580

SMILES: OC(=O)CCCNCc1cc2cccc(-c3ccc(cc3)-c3ccccc3)c2s1

InChI Key: InChIKey=UVRRDWQINLOLQQ-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 = 50208996   

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 5 (Homo sapiens (Human))	BDBM50208996 (CHEMBL3884580) Show SMILES OC(=O)CCCNCc1cc2cccc(-c3ccc(cc3)-c3ccccc3)c2s1 Show InChI InChI=1S/C25H23NO2S/c27-24(28)10-5-15-26-17-22-16-21-8-4-9-23(25(21)29-22)20-13-11-19(12-14-20)18-6-2-1-3-7-18/h1-4,6-9,11-14,16,26H,5,10,15,17H2,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.45E+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
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50208996 (CHEMBL3884580) Show SMILES OC(=O)CCCNCc1cc2cccc(-c3ccc(cc3)-c3ccccc3)c2s1 Show InChI InChI=1S/C25H23NO2S/c27-24(28)10-5-15-26-17-22-16-21-8-4-9-23(25(21)29-22)20-13-11-19(12-14-20)18-6-2-1-3-7-18/h1-4,6-9,11-14,16,26H,5,10,15,17H2,(H,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.06E+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