BDBM50420005 CHEMBL2018329

SMILES: CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cc(F)cc2c(CCC(O)=O)cn(C)c12

InChI Key: InChIKey=OPKLCQPVRWHTOT-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50420005   

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 3 (Homo sapiens (Human))	BDBM50420005 (CHEMBL2018329) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cc(F)cc2c(CCC(O)=O)cn(C)c12 Show InChI InChI=1S/C23H21ClFN3O4/c1-12(2)31-19-6-4-13(8-18(19)24)23-26-22(27-32-23)17-10-15(25)9-16-14(5-7-20(29)30)11-28(3)21(16)17/h4,6,8-12H,5,7H2,1-3H3,(H,29,30)	PDB 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+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay				Bioorg Med Chem Lett 22: 2794-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R
					More data for this Ligand-Target Pair