Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50027928'   

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 3 (Homo sapiens (Human))	BDBM50027928 (CHEMBL3344405) Show SMILES CC1(C)CC(C1)C(=O)N1CCN(CC1)c1noc(n1)-c1cc(F)c(OC[C@@H](N)CO)cc1Cl |r| Show InChI InChI=1S/C22H29ClFN5O4/c1-22(2)9-13(10-22)20(31)28-3-5-29(6-4-28)21-26-19(33-27-21)15-7-17(24)18(8-16(15)23)32-12-14(25)11-30/h7-8,13-14,30H,3-6,9-12,25H2,1-2H3/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in human EDG3-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay				Bioorg Med Chem Lett 24: 4807-11 (2014) Article DOI: 10.1016/j.bmcl.2014.09.003 BindingDB Entry DOI: 10.7270/Q28C9XT7
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