Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50186404'   

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))	BDBM50186404 (3-(4-(5-(5-chloro-6-isopropoxypyridin-3-yl)-1,2,4-...) Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C20H20ClN3O4/c1-11(2)27-20-16(21)9-14(10-22-20)19-23-18(24-28-19)15-6-4-13(8-12(15)3)5-7-17(25)26/h4,6,8-11H,5,7H2,1-3H3,(H,25,26)	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	950	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at S1P3 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake				Bioorg Med Chem Lett 16: 3679-83 (2006) Article DOI: 10.1016/j.bmcl.2006.04.084 BindingDB Entry DOI: 10.7270/Q2J67GJ8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50186404 (3-(4-(5-(5-chloro-6-isopropoxypyridin-3-yl)-1,2,4-...) Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C20H20ClN3O4/c1-11(2)27-20-16(21)9-14(10-22-20)19-23-18(24-28-19)15-6-4-13(8-12(15)3)5-7-17(25)26/h4,6,8-11H,5,7H2,1-3H3,(H,25,26)	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	950	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding				Bioorg Med Chem Lett 16: 3684-7 (2006) Article DOI: 10.1016/j.bmcl.2006.04.064 BindingDB Entry DOI: 10.7270/Q2HD7V7J
					More data for this Ligand-Target Pair