Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50136555'   

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))	BDBM50136555 (CHEMBL3752339) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H](C)N[C@H]1C[C@H](C1)C(O)=O |r,wU:24.26,26.31,wD:21.24,(-5.07,1.38,;-4,.77,;-4,-.47,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;4.06,-.91,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;6.62,-1.89,;7.61,-3.06,;9.12,-2.79,;9.65,-1.34,;8.65,-.17,;7.13,-.44,;11.16,-1.07,;11.96,-2.01,;11.68,.39,;13.2,.66,;14.02,1.92,;15.29,1.04,;14.41,-.23,;16.8,1.31,;17.22,2.47,;17.59,.37,)| Show InChI InChI=1S/C25H29N3O3/c1-15(2)12-17-4-6-20(7-5-17)24-27-23(28-31-24)19-10-8-18(9-11-19)16(3)26-22-13-21(14-22)25(29)30/h4-11,15-16,21-22,26H,12-14H2,1-3H3,(H,29,30)/t16-,21-,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...				Bioorg Med Chem Lett 26: 466-71 (2016) Article DOI: 10.1016/j.bmcl.2015.11.090 BindingDB Entry DOI: 10.7270/Q2GX4DD4
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