Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50361039'   

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))	BDBM50361039 (CHEMBL1935578) Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3F)ccc12 |c:1| Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)9-8-19-13-22(10-11-23(17)19)30-12-4-6-18-5-2-3-7-24(18)26/h2-3,5,7,10-11,13,21H,4,6,8-9,12,14-16H2,1H3,(H,28,29)	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	2.70	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 induction of intracellular calcium level				Bioorg Med Chem Lett 22: 144-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.048 BindingDB Entry DOI: 10.7270/Q28G8M46
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