Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50203771'   

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))	BDBM50203771 (5-(4-carboxy-2-(2,4-dioxo-4-(4-stearamidophenyl)bu...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)CC(=O)Cc1cc(ccc1Oc1cc(cc(c1)C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C43H53NO10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-40(47)44-35-21-18-30(19-22-35)38(46)29-36(45)26-32-24-31(41(48)49)20-23-39(32)54-37-27-33(42(50)51)25-34(28-37)43(52)53/h18-25,27-28H,2-17,26,29H2,1H3,(H,44,47)(H,48,49)(H,50,51)(H,52,53)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
TOA EIYO Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human S1P3 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells				J Med Chem 50: 442-54 (2007) Article DOI: 10.1021/jm060834d BindingDB Entry DOI: 10.7270/Q2NG4Q84
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