Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50467023'   

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))	BDBM50467023 (CHEMBL4287514) Show SMILES CCC\N=C1/S\C(=C/c2ccc(cc2)C(=O)NCCO)C(=O)N1c1ccccc1C Show InChI InChI=1S/C23H25N3O3S/c1-3-12-25-23-26(19-7-5-4-6-16(19)2)22(29)20(30-23)15-17-8-10-18(11-9-17)21(28)24-13-14-27/h4-11,15,27H,3,12-14H2,1-2H3,(H,24,28)/b20-15-,25-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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
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