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SMILES: COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1C(C)(C)C

InChI Key: InChIKey=VCWBQEGXEFKPSH-BUVJYCSZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 313264   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM313264 (US10166249, Example 498) Show SMILES COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1C(C)(C)C |r| Show InChI InChI=1S/C28H40NO6P/c1-27(2,3)25-15-24(9-10-26(25)33-4)34-17-19-5-6-21-14-22(8-7-20(21)13-19)23-11-12-28(29,16-23)18-35-36(30,31)32/h7-10,14-15,19,23H,5-6,11-13,16-18,29H2,1-4H3,(H2,30,31,32)/t19-,23+,28-/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 receptor 3 (Homo sapiens (Human))	BDBM313264 (US10166249, Example 498) Show SMILES COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1C(C)(C)C |r| Show InChI InChI=1S/C28H40NO6P/c1-27(2,3)25-15-24(9-10-26(25)33-4)34-17-19-5-6-21-14-22(8-7-20(21)13-19)23-11-12-28(29,16-23)18-35-36(30,31)32/h7-10,14-15,19,23H,5-6,11-13,16-18,29H2,1-4H3,(H2,30,31,32)/t19-,23+,28-/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 lyase 1 (Homo sapiens (Human))	BDBM313264 (US10166249, Example 498) Show SMILES COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1C(C)(C)C |r| Show InChI InChI=1S/C28H40NO6P/c1-27(2,3)25-15-24(9-10-26(25)33-4)34-17-19-5-6-21-14-22(8-7-20(21)13-19)23-11-12-28(29,16-23)18-35-36(30,31)32/h7-10,14-15,19,23H,5-6,11-13,16-18,29H2,1-4H3,(H2,30,31,32)/t19-,23+,28-/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))	BDBM313264 (US10166249, Example 498) Show SMILES COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1C(C)(C)C |r| Show InChI InChI=1S/C28H40NO6P/c1-27(2,3)25-15-24(9-10-26(25)33-4)34-17-19-5-6-21-14-22(8-7-20(21)13-19)23-11-12-28(29,16-23)18-35-36(30,31)32/h7-10,14-15,19,23H,5-6,11-13,16-18,29H2,1-4H3,(H2,30,31,32)/t19-,23+,28-/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	5.50E+3	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