Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50027956'   

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))	BDBM50027956 (CHEMBL3344436) Show SMILES OC(=O)C1CN(Cc2cc(Cl)c(cc2F)-c2nc(no2)N2CCN(CC2)C(=O)C2CCCC2)C1 Show InChI InChI=1S/C23H27ClFN5O4/c24-18-9-15(11-28-12-16(13-28)22(32)33)19(25)10-17(18)20-26-23(27-34-20)30-7-5-29(6-8-30)21(31)14-3-1-2-4-14/h9-10,14,16H,1-8,11-13H2,(H,32,33)	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	2.10E+3	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
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