Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50055558'   

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))	BDBM50055558 (CHEMBL3341935) Show SMILES CCCCCc1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C19H29N2O6P/c1-2-3-4-5-18-21-17(12-26-18)16-8-6-15(7-9-16)10-11-19(20,13-22)14-27-28(23,24)25/h6-9,12,22H,2-5,10-11,13-14,20H2,1H3,(H2,23,24,25)	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	64	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay				Eur J Med Chem 85: 1-15 (2014) Article DOI: 10.1016/j.ejmech.2014.07.081 BindingDB Entry DOI: 10.7270/Q2X92D0T
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