Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50165391'   

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))	BDBM50165391 (CHEMBL3798420) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CN(C)C)c(C)c1 |r| Show InChI InChI=1S/C26H34N4O5/c1-6-18-11-21(10-17(3)24(18)34-15-22(32)12-27-23(33)14-31)25-28-26(35-29-25)19-7-8-20(13-30(4)5)16(2)9-19/h7-11,22,31-32H,6,12-15H2,1-5H3,(H,27,33)/t22-/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	3.20E+3	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1PR3 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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