BDBM50360522 CHEMBL1935662

SMILES: NC(=O)C1(CCc2ccc(OCc3ccccc3Cl)cc2)COC(=O)N1

InChI Key: InChIKey=VIXIHNMGNDQBFH-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 = 50360522   

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 1 (Homo sapiens (Human))	BDBM50360522 (CHEMBL1935662) Show SMILES NC(=O)C1(CCc2ccc(OCc3ccccc3Cl)cc2)COC(=O)N1 Show InChI InChI=1S/C19H19ClN2O4/c20-16-4-2-1-3-14(16)11-25-15-7-5-13(6-8-15)9-10-19(17(21)23)12-26-18(24)22-19/h1-8H,9-12H2,(H2,21,23)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Institute of Pharmacology& Toxicology Curated by ChEMBL					Assay Description Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins				Bioorg Med Chem Lett 22: 553-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.088 BindingDB Entry DOI: 10.7270/Q2154HGN
					More data for this Ligand-Target Pair