Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50164489'   

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))	BDBM50164489 (CHEMBL3800595) Show SMILES CCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H22N4O4/c1-2-19-20(26-31-21(19)16-6-4-3-5-7-16)23-25-22(27-32-23)17-10-8-15(9-11-17)12-28-13-18(14-28)24(29)30/h3-11,18H,2,12-14H2,1H3,(H,29,30)	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	1.20E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay				J Med Chem 59: 2820-40 (2016) Article DOI: 10.1021/acs.jmedchem.6b00089 BindingDB Entry DOI: 10.7270/Q2HH6N0K
					More data for this Ligand-Target Pair