BDBM50380341 CHEMBL2017804

SMILES: COc1ccccc1C(=O)NC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1

InChI Key: InChIKey=JGEZETHUNNNQAW-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 = 50380341   

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))	BDBM50380341 (CHEMBL2017804) Show SMILES COc1ccccc1C(=O)NC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 Show InChI InChI=1S/C20H22ClN3O3/c1-27-18-8-4-3-7-15(18)19(25)23-20(26)22-14-9-10-17(16(21)13-14)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,22,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalisation after 1 hr by microscopic analysis				ACS Med Chem Lett 2: 752-757 (2011) Article DOI: 10.1021/ml2001399 BindingDB Entry DOI: 10.7270/Q21837G0
					More data for this Ligand-Target Pair