Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50402727'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50402727 (CHEMBL2207788) Show SMILES CCCCN(C(=O)Cc1ccccc1)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C25H28N4O3S/c1-2-3-13-29(22(30)14-18-7-5-4-6-8-18)25-27-26-23(33-25)20-11-9-19(10-12-20)15-28-16-21(17-28)24(31)32/h4-12,21H,2-3,13-17H2,1H3,(H,31,32)	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	7.20E+5	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