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SMILES: N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc2c1)OCCOCc1cccs1

InChI Key: InChIKey=BHIHYIPPEVFATQ-QZNHQXDQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 313354   

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))	BDBM313354 (US10166249, Example 589) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc2c1)OCCOCc1cccs1 |r| Show InChI InChI=1S/C23H32NO6PS/c24-23(16-30-31(25,26)27)8-7-20(14-23)18-3-4-19-13-21(6-5-17(19)12-18)29-10-9-28-15-22-2-1-11-32-22/h1-4,11-12,20-21H,5-10,13-16,24H2,(H2,25,26,27)/t20-,21+,23+/m0/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 receptor 3 (Homo sapiens (Human))	BDBM313354 (US10166249, Example 589) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc2c1)OCCOCc1cccs1 |r| Show InChI InChI=1S/C23H32NO6PS/c24-23(16-30-31(25,26)27)8-7-20(14-23)18-3-4-19-13-21(6-5-17(19)12-18)29-10-9-28-15-22-2-1-11-32-22/h1-4,11-12,20-21H,5-10,13-16,24H2,(H2,25,26,27)/t20-,21+,23+/m0/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	>100	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))	BDBM313354 (US10166249, Example 589) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc2c1)OCCOCc1cccs1 |r| Show InChI InChI=1S/C23H32NO6PS/c24-23(16-30-31(25,26)27)8-7-20(14-23)18-3-4-19-13-21(6-5-17(19)12-18)29-10-9-28-15-22-2-1-11-32-22/h1-4,11-12,20-21H,5-10,13-16,24H2,(H2,25,26,27)/t20-,21+,23+/m0/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))	BDBM313354 (US10166249, Example 589) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc2c1)OCCOCc1cccs1 |r| Show InChI InChI=1S/C23H32NO6PS/c24-23(16-30-31(25,26)27)8-7-20(14-23)18-3-4-19-13-21(6-5-17(19)12-18)29-10-9-28-15-22-2-1-11-32-22/h1-4,11-12,20-21H,5-10,13-16,24H2,(H2,25,26,27)/t20-,21+,23+/m0/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