Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sphingosine-1-phosphate lyase 1' and Ligand = 'BDBM313253'   

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 lyase 1 (Homo sapiens (Human))	BDBM313253 (US10166249, Example 485) Show SMILES COc1c(F)cccc1COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H33FNO6P/c1-31-24-22(3-2-4-23(24)26)15-32-14-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-25(27,13-21)16-33-34(28,29)30/h2-4,7-8,12,17,21H,5-6,9-11,13-16,27H2,1H3,(H2,28,29,30)/t17-,21+,25-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1×109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...				US Patent US10166249 (2019) BindingDB Entry DOI: 10.7270/Q2S75JCM
					More data for this Ligand-Target Pair
Sphingosine-1-phosphate lyase 1 (Homo sapiens (Human))	BDBM313253 (US10166249, Example 485) Show SMILES COc1c(F)cccc1COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H33FNO6P/c1-31-24-22(3-2-4-23(24)26)15-32-14-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-25(27,13-21)16-33-34(28,29)30/h2-4,7-8,12,17,21H,5-6,9-11,13-16,27H2,1H3,(H2,28,29,30)/t17-,21+,25-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...				US Patent US10166249 (2019) BindingDB Entry DOI: 10.7270/Q2S75JCM
					More data for this Ligand-Target Pair
Sphingosine-1-phosphate lyase 1 (Homo sapiens (Human))	BDBM313253 (US10166249, Example 485) Show SMILES COc1c(F)cccc1COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H33FNO6P/c1-31-24-22(3-2-4-23(24)26)15-32-14-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-25(27,13-21)16-33-34(28,29)30/h2-4,7-8,12,17,21H,5-6,9-11,13-16,27H2,1H3,(H2,28,29,30)/t17-,21+,25-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	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