Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50185147'   

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))	BDBM50185147 ((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-3-fluorophenyl...) Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(C2CCCC2)c(F)c1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(9-11-20(21)15-3-1-2-4-15)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,22+/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	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from S1P3 expressed in CHO cells				Bioorg Med Chem Lett 16: 2905-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.038 BindingDB Entry DOI: 10.7270/Q2GQ6XCK
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