Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM123451'   

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))	BDBM123451 (US8741923, 4) Show SMILES COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C24H20N4O2/c1-15-5-3-4-6-19(15)20-9-7-17(11-18(20)13-29-2)24-27-23(28-30-24)16-8-10-21-22(12-16)26-14-25-21/h3-12,14H,13H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	-44.0	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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