Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM139213'   

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))	BDBM139213 (US8889668, I63) Show SMILES COc1ccc(F)cc1-c1noc(n1)-c1ccc(N2CCCCC2C)c(c1)C(F)(F)F Show InChI InChI=1S/C22H21F4N3O2/c1-13-5-3-4-10-29(13)18-8-6-14(11-17(18)22(24,25)26)21-27-20(28-31-21)16-12-15(23)7-9-19(16)30-2/h6-9,11-13H,3-5,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-45.2	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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