Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50315811'   

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))	BDBM50315811 (2-Amino-4-(3-chloro-4'-phenoxybiphenyl-4-yl)-2-(ph...) Show SMILES NC(CO)(CCc1ccc(cc1Cl)-c1ccc(Oc2ccccc2)cc1)COP(O)(O)=O Show InChI InChI=1S/C23H25ClNO6P/c24-22-14-19(17-8-10-21(11-9-17)31-20-4-2-1-3-5-20)7-6-18(22)12-13-23(25,15-26)16-30-32(27,28)29/h1-11,14,26H,12-13,15-16,25H2,(H2,27,28,29)	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	>1.00E+3	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization				J Med Chem 53: 3154-68 (2010) Article DOI: 10.1021/jm901776q BindingDB Entry DOI: 10.7270/Q2HH6K7W
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