BDBM50402732 CHEMBL2207783

SMILES: CCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1

InChI Key: InChIKey=ZUOAULGCZMGYNY-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 = 50402732   

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))	BDBM50402732 (CHEMBL2207783) Show SMILES CCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H23FN4O3S/c1-2-11-28(21(29)18-5-3-4-6-19(18)24)23-26-25-20(32-23)16-9-7-15(8-10-16)12-27-13-17(14-27)22(30)31/h3-10,17H,2,11-14H2,1H3,(H,30,31)	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	>4.00E+3	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at S1P3 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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50402732 (CHEMBL2207783) Show SMILES CCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H23FN4O3S/c1-2-11-28(21(29)18-5-3-4-6-19(18)24)23-26-25-20(32-23)16-9-7-15(8-10-16)12-27-13-17(14-27)22(30)31/h3-10,17H,2,11-14H2,1H3,(H,30,31)	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	4.70	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