Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM129612'   

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))	BDBM129612 (US8802663, 153) Show SMILES OC(=O)c1cnn(Cc2ccc(cc2)-c2noc(n2)-c2cnn(C3CCCCC3)c2-c2ccncc2)c1 Show InChI InChI=1S/C27H25N7O3/c35-27(36)21-14-29-33(17-21)16-18-6-8-20(9-7-18)25-31-26(37-32-25)23-15-30-34(22-4-2-1-3-5-22)24(23)19-10-12-28-13-11-19/h6-15,17,22H,1-5,16H2,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	28	-40.1	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 355-GTPgammaS binding studies. Cells wer...				US Patent US8802663 (2014) BindingDB Entry DOI: 10.7270/Q2ZC81K5
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