Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50316732'   

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))	BDBM50316732 ((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...) Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1cccnc1 Show InChI InChI=1S/C18H16ClN3O2S/c1-11(2)21-18-22(13-4-3-7-20-10-13)17(24)16(25-18)9-12-5-6-15(23)14(19)8-12/h3-11,23H,1-2H3/b16-9-,21-18-	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	228	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay				J Med Chem 53: 4198-211 (2010) Article DOI: 10.1021/jm100181s BindingDB Entry DOI: 10.7270/Q2513ZBQ
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