Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50467027'   

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))	BDBM50467027 (CHEMBL4292445) Show SMILES CCC\N=C1/S\C(=C/c2ccc(cc2)C(=O)OCc2oc(=O)oc2C)C(=O)N1c1ccccc1O Show InChI InChI=1S/C25H22N2O7S/c1-3-12-26-24-27(18-6-4-5-7-19(18)28)22(29)21(35-24)13-16-8-10-17(11-9-16)23(30)32-14-20-15(2)33-25(31)34-20/h4-11,13,28H,3,12,14H2,1-2H3/b21-13-,26-24-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay				Bioorg Med Chem Lett 28: 3255-3259 (2018) Article DOI: 10.1016/j.bmcl.2018.07.044 BindingDB Entry DOI: 10.7270/Q2BG2RPC
					More data for this Ligand-Target Pair