Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM65126'   

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))	BDBM65126 (US10166249, Example 482 | US9522888, 482) Show SMILES COc1ccc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r| Show InChI InChI=1S/C25H34NO6P/c1-30-24-8-3-18(4-9-24)15-31-16-19-2-5-21-13-22(7-6-20(21)12-19)23-10-11-25(26,14-23)17-32-33(27,28)29/h3-4,6-9,13,19,23H,2,5,10-12,14-17,26H2,1H3,(H2,27,28,29)/t19-,23+,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>625	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 l/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal5...				US Patent US10166249 (2019) BindingDB Entry DOI: 10.7270/Q2S75JCM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM65126 (US10166249, Example 482 | US9522888, 482) Show SMILES COc1ccc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r| Show InChI InChI=1S/C25H34NO6P/c1-30-24-8-3-18(4-9-24)15-31-16-19-2-5-21-13-22(7-6-20(21)12-19)23-10-11-25(26,14-23)17-32-33(27,28)29/h3-4,6-9,13,19,23H,2,5,10-12,14-17,26H2,1H3,(H2,27,28,29)/t19-,23+,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>625	n/a	n/a	n/a	60
Bristol-Myers Squibb Company US Patent					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair