Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50248368'   

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))	BDBM50248368 (CHEMBL4085783) Show SMILES COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1ccc(cc1)-c1ccc(C(O)=O)c(F)c1 Show InChI InChI=1S/C30H23FN2O4/c1-18-5-3-4-6-24(18)25-13-12-22(15-23(25)17-36-2)29-32-28(33-37-29)20-9-7-19(8-10-20)21-11-14-26(30(34)35)27(31)16-21/h3-16H,17H2,1-2H3,(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from S1P3 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assay				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
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