Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM139210'   

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))	BDBM139210 (US8889668, I60) Show SMILES COc1ccc(F)cc1-c1noc(n1)-c1ccc(N2CCCCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F4N3O2/c1-29-18-8-6-14(22)12-15(18)19-26-20(30-27-19)13-5-7-17(16(11-13)21(23,24)25)28-9-3-2-4-10-28/h5-8,11-12H,2-4,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-47.8	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-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
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