Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50034613'   

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))	BDBM50034613 (CHEMBL3360377) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)Cc12 Show InChI InChI=1S/C23H24ClN3O4/c1-14(2)30-20-9-8-15(11-19(20)24)23-25-22(26-31-23)17-6-3-5-16-12-27(13-18(16)17)10-4-7-21(28)29/h3,5-6,8-9,11,14H,4,7,10,12-13H2,1-2H3,(H,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	2.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins				J Med Chem 57: 10424-42 (2014) Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX
					More data for this Ligand-Target Pair