BDBM50209051 CHEMBL3885074

SMILES: NC(CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1)C(O)=O

InChI Key: InChIKey=FHIOWMHWEJSEAR-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 = 50209051   

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))	BDBM50209051 (CHEMBL3885074) Show SMILES NC(CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1)C(O)=O Show InChI InChI=1S/C22H20N2O2S/c23-20(22(25)26)13-24-12-18-11-17-6-3-7-19(21(17)27-18)16-9-8-14-4-1-2-5-15(14)10-16/h1-11,20,24H,12-13,23H2,(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	694	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))	BDBM50209051 (CHEMBL3885074) Show SMILES NC(CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1)C(O)=O Show InChI InChI=1S/C22H20N2O2S/c23-20(22(25)26)13-24-12-18-11-17-6-3-7-19(21(17)27-18)16-9-8-14-4-1-2-5-15(14)10-16/h1-11,20,24H,12-13,23H2,(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	1.07E+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