Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM65355'   

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))	BDBM65355 (US10166249, Example 664 | US9522888, 664) Show SMILES C\C(=N/OCc1ccccc1)[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H33N2O5P/c1-18(27-31-16-19-5-3-2-4-6-19)20-7-8-22-14-23(10-9-21(22)13-20)24-11-12-25(26,15-24)17-32-33(28,29)30/h2-6,9-10,14,20,24H,7-8,11-13,15-17,26H2,1H3,(H2,28,29,30)/b27-18+/t20-,24+,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))	BDBM65355 (US10166249, Example 664 | US9522888, 664) Show SMILES C\C(=N/OCc1ccccc1)[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H33N2O5P/c1-18(27-31-16-19-5-3-2-4-6-19)20-7-8-22-14-23(10-9-21(22)13-20)24-11-12-25(26,15-24)17-32-33(28,29)30/h2-6,9-10,14,20,24H,7-8,11-13,15-17,26H2,1H3,(H2,28,29,30)/b27-18+/t20-,24+,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