BDBM50402744 CHEMBL2207771

SMILES: COCCN(C(=O)c1ccccc1Cl)c1nnc(s1)-c1ccncc1

InChI Key: InChIKey=MYTCZISHASLIHD-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 = 50402744   

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))	BDBM50402744 (CHEMBL2207771) Show SMILES COCCN(C(=O)c1ccccc1Cl)c1nnc(s1)-c1ccncc1 Show InChI InChI=1S/C17H15ClN4O2S/c1-24-11-10-22(16(23)13-4-2-3-5-14(13)18)17-21-20-15(25-17)12-6-8-19-9-7-12/h2-9H,10-11H2,1H3	PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 22: 7672-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.110 BindingDB Entry DOI: 10.7270/Q21837PP
					More data for this Ligand-Target Pair