Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sphingosine-1-phosphate lyase 1' and Ligand = 'BDBM313262'   

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))	BDBM313262 (US10166249, Example 496) Show SMILES Cn1nc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1C(F)(F)F |r| Show InChI InChI=1S/C22H29F3N3O5P/c1-28-19(22(23,24)25)10-20(27-28)32-12-14-2-3-16-9-17(5-4-15(16)8-14)18-6-7-21(26,11-18)13-33-34(29,30)31/h4-5,9-10,14,18H,2-3,6-8,11-13,26H2,1H3,(H2,29,30,31)/t14-,18+,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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))	BDBM313262 (US10166249, Example 496) Show SMILES Cn1nc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1C(F)(F)F |r| Show InChI InChI=1S/C22H29F3N3O5P/c1-28-19(22(23,24)25)10-20(27-28)32-12-14-2-3-16-9-17(5-4-15(16)8-14)18-6-7-21(26,11-18)13-33-34(29,30)31/h4-5,9-10,14,18H,2-3,6-8,11-13,26H2,1H3,(H2,29,30,31)/t14-,18+,21-/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	<10	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))	BDBM313262 (US10166249, Example 496) Show SMILES Cn1nc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1C(F)(F)F |r| Show InChI InChI=1S/C22H29F3N3O5P/c1-28-19(22(23,24)25)10-20(27-28)32-12-14-2-3-16-9-17(5-4-15(16)8-14)18-6-7-21(26,11-18)13-33-34(29,30)31/h4-5,9-10,14,18H,2-3,6-8,11-13,26H2,1H3,(H2,29,30,31)/t14-,18+,21-/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	<10	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