Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50337593'   

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))	BDBM50337593 (CHEMBL1683051 | trans-3-(3-(4-(3-phenylpropoxy)ben...) Show SMILES OC(=O)CCN1CCC\C(C1)=C/c1ccc(OCCCc2ccccc2)cc1 Show InChI InChI=1S/C24H29NO3/c26-24(27)14-16-25-15-4-8-22(19-25)18-21-10-12-23(13-11-21)28-17-5-9-20-6-2-1-3-7-20/h1-3,6-7,10-13,18H,4-5,8-9,14-17,19H2,(H,26,27)/b22-18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels				Bioorg Med Chem Lett 21: 1390-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.029 BindingDB Entry DOI: 10.7270/Q26973VP
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