Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50164807'   

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))	BDBM50164807 (CHEMBL3799953) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)c(cn1)C1CCCC1 |r| Show InChI InChI=1S/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-20(33)12-29-24(34)14-32)26-30-27(37-31-26)22-11-23(35-3)21(13-28-22)18-7-5-6-8-18/h9-11,13,18,20,32-33H,4-8,12,14-15H2,1-3H3,(H,29,34)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP				Eur J Med Chem 115: 326-41 (2016) Article DOI: 10.1016/j.ejmech.2016.03.020 BindingDB Entry DOI: 10.7270/Q2M90BK2
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