Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50361905'   

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))	BDBM50361905 (CHEMBL1938950) Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(c2)C(F)(F)F)c(=O)c2cnccc12 Show InChI InChI=1S/C22H15F3N4O2/c1-29-12-16(20(30)15-11-26-9-7-19(15)29)21(31)28-13-5-6-14(17(10-13)22(23,24)25)18-4-2-3-8-27-18/h2-12H,1H3,(H,28,31)	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	200	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...				Bioorg Med Chem Lett 22: 527-31 (2011) Article DOI: 10.1016/j.bmcl.2011.10.085 BindingDB Entry DOI: 10.7270/Q2PG1S67
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