Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50185143'   

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))	BDBM50185143 ((+/-)-2-(cis-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-ox...) Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C26H29N3O3/c30-24(31)16-22-14-15-23(27-22)19-8-10-20(11-9-19)25-28-26(32-29-25)21-12-6-18(7-13-21)17-4-2-1-3-5-17/h6-13,17,22-23,27H,1-5,14-16H2,(H,30,31)/t22-,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from S1P3 expressed in CHO cells				Bioorg Med Chem Lett 16: 2905-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.038 BindingDB Entry DOI: 10.7270/Q2GQ6XCK
					More data for this Ligand-Target Pair