Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 10058   

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 1 (Mus musculus (Mouse))	BDBM313174 (US10166249, Example 689 | US10709719, Example 690 ...) Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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-(...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313176 (US10166249, Example 692 | US11058696, Example 692 ...) Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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-(...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313175 (US10166249, Example 690 | US11058696, Example 690 ...) Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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-(...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313177 (US10166249, Example 693 | US10709719, Example 694 ...) Show SMILES COc1cccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-4-2-3-18(14-24)5-6-19-7-8-21-15-22(10-9-20(21)13-19)23-11-12-25(26,16-23)17-31-32(27,28)29/h2-4,9-10,14-15,19,23H,5-8,11-13,16-17,26H2,1H3,(H2,27,28,29)/t19?,23-,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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-(...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	48.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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-(...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM511434 (US11058696, Example 698) Show SMILES COc1ccccc1CCC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	69.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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-(...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313178 (US10166249, Example 695 | US10709719, Example 696 ...) Show SMILES CCOCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO5P/c1-2-26-11-3-4-16-5-6-18-13-19(8-7-17(18)12-16)20-9-10-21(22,14-20)15-27-28(23,24)25/h7-8,13,16,20H,2-6,9-12,14-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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-(...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313182 (US10166249, Example 702 | US11058696, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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-(...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM258471 (US10166249, Example 699 | US10709719, Example 699 ...) Show SMILES COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18-,23-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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-(...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313178 (US10166249, Example 695 | US10709719, Example 696 ...) Show SMILES CCOCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO5P/c1-2-26-11-3-4-16-5-6-18-13-19(8-7-17(18)12-16)20-9-10-21(22,14-20)15-27-28(23,24)25/h7-8,13,16,20H,2-6,9-12,14-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313178 (US10166249, Example 695 | US10709719, Example 696 ...) Show SMILES CCOCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO5P/c1-2-26-11-3-4-16-5-6-18-13-19(8-7-17(18)12-16)20-9-10-21(22,14-20)15-27-28(23,24)25/h7-8,13,16,20H,2-6,9-12,14-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21+/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	>625	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313184 (US10166249, Example 696 | US11058696, Example 696) Show SMILES CCOCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO5P/c1-2-26-11-3-4-16-5-6-18-13-19(8-7-17(18)12-16)20-9-10-21(22,14-20)15-27-28(23,24)25/h7-8,13,16,20H,2-6,9-12,14-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313184 (US10166249, Example 696 | US11058696, Example 696) Show SMILES CCOCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO5P/c1-2-26-11-3-4-16-5-6-18-13-19(8-7-17(18)12-16)20-9-10-21(22,14-20)15-27-28(23,24)25/h7-8,13,16,20H,2-6,9-12,14-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21-/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	>1.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313179 (US10166249, Example 697 | US10166249, Example 698 ...) Show SMILES COc1ccccc1CCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18?,23-,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313179 (US10166249, Example 697 | US10166249, Example 698 ...) Show SMILES COc1ccccc1CCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18?,23-,25+/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	>1.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM511434 (US11058696, Example 698) Show SMILES COc1ccccc1CCC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.90	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM511434 (US11058696, Example 698) Show SMILES COc1ccccc1CCC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r| Show InChI	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
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM258471 (US10166249, Example 699 | US10709719, Example 699 ...) Show SMILES COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18-,23-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	82.6	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM258471 (US10166249, Example 699 | US10709719, Example 699 ...) Show SMILES COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18-,23-,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
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	133	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/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	>1.25E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313182 (US10166249, Example 702 | US11058696, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313182 (US10166249, Example 702 | US11058696, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24+/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
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313183 (US10166249, Example 694 | US11058696, Example 694) Show SMILES COc1cccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-4-2-3-18(14-24)5-6-19-7-8-21-15-22(10-9-20(21)13-19)23-11-12-25(26,16-23)17-31-32(27,28)29/h2-4,9-10,14-15,19,23H,5-8,11-13,16-17,26H2,1H3,(H2,27,28,29)/t19?,23-,25-/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	>1.25E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313183 (US10166249, Example 694 | US11058696, Example 694) Show SMILES COc1cccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-4-2-3-18(14-24)5-6-19-7-8-21-15-22(10-9-20(21)13-19)23-11-12-25(26,16-23)17-31-32(27,28)29/h2-4,9-10,14-15,19,23H,5-8,11-13,16-17,26H2,1H3,(H2,27,28,29)/t19?,23-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	38.6	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313177 (US10166249, Example 693 | US10709719, Example 694 ...) Show SMILES COc1cccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-4-2-3-18(14-24)5-6-19-7-8-21-15-22(10-9-20(21)13-19)23-11-12-25(26,16-23)17-31-32(27,28)29/h2-4,9-10,14-15,19,23H,5-8,11-13,16-17,26H2,1H3,(H2,27,28,29)/t19?,23-,25+/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	>4.16E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313177 (US10166249, Example 693 | US10709719, Example 694 ...) Show SMILES COc1cccc(CCC2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-4-2-3-18(14-24)5-6-19-7-8-21-15-22(10-9-20(21)13-19)23-11-12-25(26,16-23)17-31-32(27,28)29/h2-4,9-10,14-15,19,23H,5-8,11-13,16-17,26H2,1H3,(H2,27,28,29)/t19?,23-,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	19.2	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313176 (US10166249, Example 692 | US11058696, Example 692 ...) Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22+/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
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313176 (US10166249, Example 692 | US11058696, Example 692 ...) Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.40	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313175 (US10166249, Example 690 | US11058696, Example 690 ...) Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22-/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	>625	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313174 (US10166249, Example 689 | US10709719, Example 690 ...) Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313174 (US10166249, Example 689 | US10709719, Example 690 ...) Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22+/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	>2.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313175 (US10166249, Example 690 | US11058696, Example 690 ...) Show SMILES COCCCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17?,21-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	21.4	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				Citation and Details BindingDB Entry DOI: 10.7270/Q27P92HN
					More data for this Ligand-Target Pair