BDBM50209020 CHEMBL3884077

SMILES: OC(=O)Cc1cccc(NCc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)c1

InChI Key: InChIKey=MQURLYDSZBSNTD-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 = 50209020   

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))	BDBM50209020 (CHEMBL3884077) Show SMILES OC(=O)Cc1cccc(NCc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)c1 Show InChI InChI=1S/C27H21NO2S/c29-27(30)13-18-4-3-7-24(12-18)28-17-25-16-23-15-22(10-11-26(23)31-25)21-9-8-19-5-1-2-6-20(19)14-21/h1-12,14-16,28H,13,17H2,(H,29,30)	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	>1.00E+5	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))	BDBM50209020 (CHEMBL3884077) Show SMILES OC(=O)Cc1cccc(NCc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)c1 Show InChI InChI=1S/C27H21NO2S/c29-27(30)13-18-4-3-7-24(12-18)28-17-25-16-23-15-22(10-11-26(23)31-25)21-9-8-19-5-1-2-6-20(19)14-21/h1-12,14-16,28H,13,17H2,(H,29,30)	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	769	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