Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50165464'   

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))	BDBM50165464 (CHEMBL3797647) Show SMILES CCc1cc(sc1CN(C)C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C25H34N4O5S/c1-6-16-10-20(35-21(16)12-29(4)5)25-27-24(28-34-25)18-8-15(3)23(17(7-2)9-18)33-14-19(31)11-26-22(32)13-30/h8-10,19,30-31H,6-7,11-14H2,1-5H3,(H,26,32)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	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 assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...				Eur J Med Chem 116: 222-238 (2016) Article DOI: 10.1016/j.ejmech.2016.03.048 BindingDB Entry DOI: 10.7270/Q2ST7RRN
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