Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50185525'   

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))	BDBM50185525 (2-(trans-5-(4-(5-(4-(4,4-difluorocyclohexyl)phenyl...) Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCC(F)(F)CC1 Show InChI InChI=1S/C26H27F2N3O3/c27-26(28)11-9-18(10-12-26)17-1-7-21(8-2-17)25-30-24(31-34-25)20-5-3-19(4-6-20)22-13-16(15-29-22)14-23(32)33/h1-8,16,18,22,29H,9-15H2,(H,32,33)/t16-,22-/m1/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3564-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.090 BindingDB Entry DOI: 10.7270/Q2WS8SWT
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