Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM123464'   

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))	BDBM123464 (US8741923, 37) Show SMILES CC1CCCCN1c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2CCN(CCC(O)=O)Cc2c1 Show InChI InChI=1S/C27H29F3N4O3/c1-17-4-2-3-11-34(17)23-8-7-20(15-22(23)27(28,29)30)26-31-25(32-37-26)19-6-5-18-9-12-33(13-10-24(35)36)16-21(18)14-19/h5-8,14-15,17H,2-4,9-13,16H2,1H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.75	-48.4	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells we...				US Patent US8741923 (2014) BindingDB Entry DOI: 10.7270/Q2PK0DVV
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