Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50337594'   

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))	BDBM50337594 (3-(4-(4-(3-phenylpropoxy)phenyl)piperidin-1-yl)pro...) Show SMILES OC(=O)CCN1CCC(CC1)c1ccc(OCCCc2ccccc2)cc1 Show InChI InChI=1S/C23H29NO3/c25-23(26)14-17-24-15-12-21(13-16-24)20-8-10-22(11-9-20)27-18-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-11,21H,4,7,12-18H2,(H,25,26)	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	1.60E+3	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels				Bioorg Med Chem Lett 21: 1390-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.029 BindingDB Entry DOI: 10.7270/Q26973VP
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