Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM123457'   

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))	BDBM123457 (US8741923, 16) Show SMILES COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1ccc2CCN(CC(O)=O)Cc2c1 Show InChI InChI=1S/C28H27N3O4/c1-18-5-3-4-6-24(18)25-10-9-21(14-23(25)17-34-2)28-29-27(30-35-28)20-8-7-19-11-12-31(16-26(32)33)15-22(19)13-20/h3-10,13-14H,11-12,15-17H2,1-2H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-48.6	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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