Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50164814'   

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))	BDBM50164814 (CHEMBL3800001) Show SMILES CCC(CC)c1cc(OC)cc(n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C27H36N4O6/c1-6-17(7-2)22-11-21(35-5)12-23(29-22)27-30-26(31-37-27)19-9-16(4)25(18(8-3)10-19)36-15-20(33)13-28-24(34)14-32/h9-12,17,20,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/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	1.20	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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