Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50027944'   

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 1 (Homo sapiens (Human))	BDBM50027944 (CHEMBL3344425) Show SMILES N[C@@H](CO)COc1c(Cl)cc(cc1Cl)-c1nc(no1)N1CCN(CC1)C(=O)C1CCCCC1 |r| Show InChI InChI=1S/C22H29Cl2N5O4/c23-17-10-15(11-18(24)19(17)32-13-16(25)12-30)20-26-22(27-33-20)29-8-6-28(7-9-29)21(31)14-4-2-1-3-5-14/h10-11,14,16,30H,1-9,12-13,25H2/t16-/m0/s1	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+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay				Bioorg Med Chem Lett 24: 4807-11 (2014) Article DOI: 10.1016/j.bmcl.2014.09.003 BindingDB Entry DOI: 10.7270/Q28C9XT7
					More data for this Ligand-Target Pair