BDBM50209057 CHEMBL3884099

SMILES: Cc1ccc(cc1)-c1cccc2cc(CNCCCC(O)=O)sc12

InChI Key: InChIKey=PVZINPTXYJNMJH-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 = 50209057   

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))	BDBM50209057 (CHEMBL3884099) Show SMILES Cc1ccc(cc1)-c1cccc2cc(CNCCCC(O)=O)sc12 Show InChI InChI=1S/C20H21NO2S/c1-14-7-9-15(10-8-14)18-5-2-4-16-12-17(24-20(16)18)13-21-11-3-6-19(22)23/h2,4-5,7-10,12,21H,3,6,11,13H2,1H3,(H,22,23)	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	1.99E+4	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))	BDBM50209057 (CHEMBL3884099) Show SMILES Cc1ccc(cc1)-c1cccc2cc(CNCCCC(O)=O)sc12 Show InChI InChI=1S/C20H21NO2S/c1-14-7-9-15(10-8-14)18-5-2-4-16-12-17(24-20(16)18)13-21-11-3-6-19(22)23/h2,4-5,7-10,12,21H,3,6,11,13H2,1H3,(H,22,23)	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	2.81E+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