Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM101038'   

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))	BDBM101038 (US8524917, 11 | US8563594, 169) Show SMILES CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 Show InChI InChI=1S/C29H30F2N2O2/c1-4-14-35-22-11-12-23-26(16-22)33(18-20-8-6-5-7-9-20)28(19(2)3)27(23)29(34)32-17-21-10-13-24(30)25(31)15-21/h5-13,15-16,19H,4,14,17-18H2,1-3H3,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Allergan, Inc. US Patent					Assay Description FLIPR assay using S1P3 receptor inhibitor.				US Patent US8563594 (2013) BindingDB Entry DOI: 10.7270/Q2765CZV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM101038 (US8524917, 11 | US8563594, 169) Show SMILES CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 Show InChI InChI=1S/C29H30F2N2O2/c1-4-14-35-22-11-12-23-26(16-22)33(18-20-8-6-5-7-9-20)28(19(2)3)27(23)29(34)32-17-21-10-13-24(30)25(31)15-21/h5-13,15-16,19H,4,14,17-18H2,1-3H3,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Allergan, Inc. US Patent					Assay Description Inhibition assay using sphingosine-1-phosphate receptor 3.				US Patent US8524917 (2013) BindingDB Entry DOI: 10.7270/Q2G15ZG2
					More data for this Ligand-Target Pair