Compile Data Set for Download or QSAR

Found 952 hits Enz. Inhib. hit(s) with all data for entry = 8560   

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 (Homo sapiens (Human))	BDBM258466 (US9522888, 689) Show SMILES COCCCCC[C@@H]1CCc2cc(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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM258467 (US9522888, 692) Show SMILES COCCCCC[C@H]1CCc2cc(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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM258474 (US9522888, 690) Show SMILES COCCCCC[C@H]1CCc2cc(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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM258468 (US9522888, 693) Show SMILES COc1cccc(CC[C@@H]2CCc3cc(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-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65172 (US10166249, Example 521 | US9522888, 521) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CSCCc3ccccc3)CCc2c1 |r| Show InChI InChI=1S/C25H34NO4PS/c26-25(18-30-31(27,28)29)12-10-24(16-25)23-9-8-21-14-20(6-7-22(21)15-23)17-32-13-11-19-4-2-1-3-5-19/h1-5,8-9,15,20,24H,6-7,10-14,16-18,26H2,(H2,27,28,29)/t20-,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65173 (US10166249, Example 522 | US9522888, 522) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccccc3)CCc2c1 |r| Show InChI InChI=1S/C25H34NO4PS/c26-25(18-30-31(27,28)29)12-10-24(16-25)23-9-8-21-14-20(6-7-22(21)15-23)17-32-13-11-19-4-2-1-3-5-19/h1-5,8-9,15,20,24H,6-7,10-14,16-18,26H2,(H2,27,28,29)/t20-,24+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65179 (US10166249, Example 525 | US9522888, 525) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccncc3)CCc2c1 |r| Show InChI InChI=1S/C24H33N2O4PS/c25-24(17-30-31(27,28)29)9-5-23(15-24)22-4-3-20-13-19(1-2-21(20)14-22)16-32-12-8-18-6-10-26-11-7-18/h3-4,6-7,10-11,14,19,23H,1-2,5,8-9,12-13,15-17,25H2,(H2,27,28,29)/t19-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65183 (US10166249, Example 527 | US9522888, 527) Show SMILES COc1ccccc1SC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C24H32NO5PS/c1-29-22-4-2-3-5-23(22)32-15-17-6-7-19-13-20(9-8-18(19)12-17)21-10-11-24(25,14-21)16-30-31(26,27)28/h2-5,8-9,13,17,21H,6-7,10-12,14-16,25H2,1H3,(H2,26,27,28)/t17-,21+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65185 (US10166249, Example 529 | US9522888, 529) Show SMILES COc1ccc(SC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r| Show InChI InChI=1S/C24H32NO5PS/c1-29-22-6-8-23(9-7-22)32-15-17-2-3-19-13-20(5-4-18(19)12-17)21-10-11-24(25,14-21)16-30-31(26,27)28/h4-9,13,17,21H,2-3,10-12,14-16,25H2,1H3,(H2,26,27,28)/t17-,21+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65148 (US10166249, Example 502 | US9522888, 502 | US95228...) Show SMILES CCCSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO4PS/c1-2-9-27-13-15-3-4-17-11-18(6-5-16(17)10-15)19-7-8-20(21,12-19)14-25-26(22,23)24/h5-6,11,15,19H,2-4,7-10,12-14,21H2,1H3,(H2,22,23,24)/t15-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65191 (US10166249, Example 533 | US9522888, 533) Show SMILES CCSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO4PS/c1-2-27-10-8-15-3-4-17-12-18(6-5-16(17)11-15)19-7-9-20(21,13-19)14-25-26(22,23)24/h5-6,12,15,19H,2-4,7-11,13-14,21H2,1H3,(H2,22,23,24)/t15-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65192 (US10166249, Example 534 | US9522888, 534) Show SMILES CCCSCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO4PS/c1-2-10-28-11-8-16-3-4-18-13-19(6-5-17(18)12-16)20-7-9-21(22,14-20)15-26-27(23,24)25/h5-6,13,16,20H,2-4,7-12,14-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65193 (US10166249, Example 535 | US9522888, 535) Show SMILES CCCSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO4PS/c1-2-10-28-11-8-16-3-4-18-13-19(6-5-17(18)12-16)20-7-9-21(22,14-20)15-26-27(23,24)25/h5-6,13,16,20H,2-4,7-12,14-15,22H2,1H3,(H2,23,24,25)/t16-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65194 (US10166249, Example 536 | US9522888, 536) Show SMILES CC(C)SCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO4PS/c1-15(2)28-10-8-16-3-4-18-12-19(6-5-17(18)11-16)20-7-9-21(22,13-20)14-26-27(23,24)25/h5-6,12,15-16,20H,3-4,7-11,13-14,22H2,1-2H3,(H2,23,24,25)/t16-,20+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65195 (US10166249, Example 537 | US9522888, 537) Show SMILES CC(C)SCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO4PS/c1-15(2)28-10-8-16-3-4-18-12-19(6-5-17(18)11-16)20-7-9-21(22,13-20)14-26-27(23,24)25/h5-6,12,15-16,20H,3-4,7-11,13-14,22H2,1-2H3,(H2,23,24,25)/t16-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65197 (US10166249, Example 538 | US9522888, 538) Show SMILES CC(C)CSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO4PS/c1-16(2)14-29-10-8-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-27-28(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65198 (US10166249, Example 539 | US9522888, 539) Show SMILES CC(C)CSCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO4PS/c1-16(2)14-29-10-8-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-27-28(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65199 (US9522888, 540) Show SMILES COCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C19H30NO5P/c1-24-9-7-14-2-3-16-11-17(5-4-15(16)10-14)18-6-8-19(20,12-18)13-25-26(21,22)23/h4-5,11,14,18H,2-3,6-10,12-13,20H2,1H3,(H2,21,22,23)/t14-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65200 (US10166249, Example 541 | US9522888, 541) Show SMILES CCOCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO5P/c1-2-25-10-8-15-3-4-17-12-18(6-5-16(17)11-15)19-7-9-20(21,13-19)14-26-27(22,23)24/h5-6,12,15,19H,2-4,7-11,13-14,21H2,1H3,(H2,22,23,24)/t15-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65207 (US10166249, Example 547 | US9522888, 547) Show SMILES CCOc1ccc(C[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r| Show InChI InChI=1S/C25H34NO5P/c1-2-30-24-9-4-18(5-10-24)13-19-3-6-21-15-22(8-7-20(21)14-19)23-11-12-25(26,16-23)17-31-32(27,28)29/h4-5,7-10,15,19,23H,2-3,6,11-14,16-17,26H2,1H3,(H2,27,28,29)/t19-,23+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65041 (US10166249, Example 412 | US10709719, Example 412 ...) Show SMILES CCCCCOC[C@@H]1COc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO7P/c1-2-3-4-9-25-12-17-13-26-19-10-15(5-6-18(19)28-17)16-7-8-20(21,11-16)14-27-29(22,23)24/h5-6,10,16-17H,2-4,7-9,11-14,21H2,1H3,(H2,22,23,24)/t16-,17+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65043 (US9522888, 414) Show SMILES CCCCOC[C@@H]1COc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C19H30NO7P/c1-2-3-8-24-11-16-12-25-18-9-14(4-5-17(18)27-16)15-6-7-19(20,10-15)13-26-28(21,22)23/h4-5,9,15-16H,2-3,6-8,10-13,20H2,1H3,(H2,21,22,23)/t15-,16+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65049 (US9522888, 421) Show SMILES CCCCCCC1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-5-6-20-12-17-8-7-16(11-19(17)14-26-20)18-9-10-21(22,13-18)15-27-28(23,24)25/h7-8,11,18,20H,2-6,9-10,12-15,22H2,1H3,(H2,23,24,25)/t18-,20?,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65082 (US9522888, 448) Show SMILES CCCCCOC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO5P/c1-2-3-4-11-27-15-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)16-28-29(24,25)26/h7-8,13,17,21H,2-6,9-12,14-16,23H2,1H3,(H2,24,25,26)/t17-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65083 (US9522888, 449) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COc3ccc(F)cc3)CCc2c1 |r| Show InChI InChI=1S/C23H29FNO5P/c24-21-5-7-22(8-6-21)29-14-16-1-2-18-12-19(4-3-17(18)11-16)20-9-10-23(25,13-20)15-30-31(26,27)28/h3-8,12,16,20H,1-2,9-11,13-15,25H2,(H2,26,27,28)/t16-,20+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65084 (US10166249, Example 450 | US9522888, 450) Show SMILES CCCCCCCCCCOC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C27H46NO5P/c1-2-3-4-5-6-7-8-9-16-32-20-22-10-11-24-18-25(13-12-23(24)17-22)26-14-15-27(28,19-26)21-33-34(29,30)31/h12-13,18,22,26H,2-11,14-17,19-21,28H2,1H3,(H2,29,30,31)/t22-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65085 (US10166249, Example 451 | US9522888, 451) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCCCC(F)(F)F)CCc2c1 |r| Show InChI InChI=1S/C21H31F3NO5P/c22-21(23,24)7-1-9-29-13-15-2-3-17-11-18(5-4-16(17)10-15)19-6-8-20(25,12-19)14-30-31(26,27)28/h4-5,11,15,19H,1-3,6-10,12-14,25H2,(H2,26,27,28)/t15-,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65086 (US10166249, Example 452 | US9522888, 452) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCCC=C)CCc2c1 |r| Show InChI InChI=1S/C21H32NO5P/c1-2-3-10-26-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-27-28(23,24)25/h2,6-7,12,16,20H,1,3-5,8-11,13-15,22H2,(H2,23,24,25)/t16-,20+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65088 (US10166249, Example 454 | US9522888, 454) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCCCC=C)CCc2c1 |r| Show InChI InChI=1S/C22H34NO5P/c1-2-3-4-11-27-15-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)16-28-29(24,25)26/h2,7-8,13,17,21H,1,3-6,9-12,14-16,23H2,(H2,24,25,26)/t17-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65089 (US10166249, Example 456 | US9522888, 455) Show SMILES CC\C=C/COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H34NO5P/c1-2-3-4-11-27-15-17-5-6-19-13-20(8-7-18(19)12-17)21-9-10-22(23,14-21)16-28-29(24,25)26/h3-4,7-8,13,17,21H,2,5-6,9-12,14-16,23H2,1H3,(H2,24,25,26)/b4-3-/t17-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65091 (US10166249, Example 457 | US9522888, 457) Show SMILES CC(C)CCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO5P/c1-16(2)8-10-27-14-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-28-29(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65092 (US10166249, Example 465 | US9522888, 458 | US95228...) Show SMILES COCCCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO6P/c1-26-9-2-10-27-14-16-3-4-18-12-19(6-5-17(18)11-16)20-7-8-21(22,13-20)15-28-29(23,24)25/h5-6,12,16,20H,2-4,7-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65093 (US10166249, Example 459 | US9522888, 459) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](COc3ccccc3)CCc2c1 |r| Show InChI InChI=1S/C23H30NO5P/c24-23(16-29-30(25,26)27)11-10-21(14-23)20-9-8-18-12-17(6-7-19(18)13-20)15-28-22-4-2-1-3-5-22/h1-5,8-9,13,17,21H,6-7,10-12,14-16,24H2,(H2,25,26,27)/t17-,21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65095 (US10166249, Example 460 | US9522888, 460 | US95228...) Show SMILES CCC\C=C\COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C23H36NO5P/c1-2-3-4-5-12-28-16-18-6-7-20-14-21(9-8-19(20)13-18)22-10-11-23(24,15-22)17-29-30(25,26)27/h4-5,8-9,14,18,22H,2-3,6-7,10-13,15-17,24H2,1H3,(H2,25,26,27)/b5-4+/t18-,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65096 (US10166249, Example 461 | US9522888, 461) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]-[#6]-[#6@@H]-1-[#6]-[#6]-c2cc(ccc2-[#6]-1)-[#6@H]-1-[#6]-[#6][C@]([#7])([#6]-[#8]P([#8])([#8])=O)[#6]-1 |r| Show InChI InChI=1S/C23H36NO5P/c1-17(2)4-3-11-28-15-18-5-6-20-13-21(8-7-19(20)12-18)22-9-10-23(24,14-22)16-29-30(25,26)27/h4,7-8,13,18,22H,3,5-6,9-12,14-16,24H2,1-2H3,(H2,25,26,27)/t18-,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65095 (US10166249, Example 460 | US9522888, 460 | US95228...) Show SMILES CCC\C=C\COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C23H36NO5P/c1-2-3-4-5-12-28-16-18-6-7-20-14-21(9-8-19(20)13-18)22-10-11-23(24,15-22)17-29-30(25,26)27/h4-5,8-9,14,18,22H,2-3,6-7,10-13,15-17,24H2,1H3,(H2,25,26,27)/b5-4+/t18-,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65100 (US10166249, Example 464 | US9522888, 464) Show SMILES CC(C)(C)CCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C23H38NO5P/c1-22(2,3)10-11-28-15-17-4-5-19-13-20(7-6-18(19)12-17)21-8-9-23(24,14-21)16-29-30(25,26)27/h6-7,13,17,21H,4-5,8-12,14-16,24H2,1-3H3,(H2,25,26,27)/t17-,21+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65092 (US10166249, Example 465 | US9522888, 458 | US95228...) Show SMILES COCCCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO6P/c1-26-9-2-10-27-14-16-3-4-18-12-19(6-5-17(18)11-16)20-7-8-21(22,13-20)15-28-29(23,24)25/h5-6,12,16,20H,2-4,7-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,20+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65105 (US10166249, Example 468 | US9522888, 468) Show SMILES Cc1ccccc1OC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C24H32NO5P/c1-17-4-2-3-5-23(17)29-15-18-6-7-20-13-21(9-8-19(20)12-18)22-10-11-24(25,14-22)16-30-31(26,27)28/h2-5,8-9,13,18,22H,6-7,10-12,14-16,25H2,1H3,(H2,26,27,28)/t18-,22-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65053 (US9522888, 425) Show SMILES CCCCCC[C@H]1COc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-5-6-16-11-18-8-7-17(12-20(18)26-14-16)19-9-10-21(22,13-19)15-27-28(23,24)25/h7-8,12,16,19H,2-6,9-11,13-15,22H2,1H3,(H2,23,24,25)/t16-,19-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65058 (US9522888, 428) Show SMILES CCCCCC[C@H]1Cc2ccc(cc2CO1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-5-6-20-12-17-8-7-16(11-19(17)14-26-20)18-9-10-21(22,13-18)15-27-28(23,24)25/h7-8,11,18,20H,2-6,9-10,12-15,22H2,1H3,(H2,23,24,25)/t18-,20+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65059 (US9522888, 429) Show SMILES CCCCCC[C@@H]1Cc2ccc(cc2CO1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-5-6-20-12-17-8-7-16(11-19(17)14-26-20)18-9-10-21(22,13-18)15-27-28(23,24)25/h7-8,11,18,20H,2-6,9-10,12-15,22H2,1H3,(H2,23,24,25)/t18-,20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65063 (US10166249, Example 432 | US9522888, 432) Show SMILES CCCCCCCOC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C23H38NO5P/c1-2-3-4-5-6-13-28-22-10-9-18-14-19(7-8-20(18)15-22)21-11-12-23(24,16-21)17-29-30(25,26)27/h7-8,14,21-22H,2-6,9-13,15-17,24H2,1H3,(H2,25,26,27)/t21-,22?,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65065 (US9522888, 434) Show SMILES CCCCCO[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO5P/c1-2-3-4-11-26-20-8-7-16-12-17(5-6-18(16)13-20)19-9-10-21(22,14-19)15-27-28(23,24)25/h5-6,12,19-20H,2-4,7-11,13-15,22H2,1H3,(H2,23,24,25)/t19-,20+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65067 (US9522888, 436) Show SMILES CCCCO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO5P/c1-2-3-10-25-19-7-6-15-11-16(4-5-17(15)12-19)18-8-9-20(21,13-18)14-26-27(22,23)24/h4-5,11,18-19H,2-3,6-10,12-14,21H2,1H3,(H2,22,23,24)/t18-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65068 (US10166249, Example 437 | US9522888, 437 | US95228...) Show SMILES CCC\C=C/CO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H34NO5P/c1-2-3-4-5-12-27-21-9-8-17-13-18(6-7-19(17)14-21)20-10-11-22(23,15-20)16-28-29(24,25)26/h4-7,13,20-21H,2-3,8-12,14-16,23H2,1H3,(H2,24,25,26)/b5-4-/t20-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65069 (US10166249, Example 438 | US9522888, 438 | US95228...) Show SMILES CCC\C=C/CO[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H34NO5P/c1-2-3-4-5-12-27-21-9-8-17-13-18(6-7-19(17)14-21)20-10-11-22(23,15-20)16-28-29(24,25)26/h4-7,13,20-21H,2-3,8-12,14-16,23H2,1H3,(H2,24,25,26)/b5-4-/t20-,21+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65069 (US10166249, Example 438 | US9522888, 438 | US95228...) Show SMILES CCC\C=C/CO[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H34NO5P/c1-2-3-4-5-12-27-21-9-8-17-13-18(6-7-19(17)14-21)20-10-11-22(23,15-20)16-28-29(24,25)26/h4-7,13,20-21H,2-3,8-12,14-16,23H2,1H3,(H2,24,25,26)/b5-4-/t20-,21+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65068 (US10166249, Example 437 | US9522888, 437 | US95228...) Show SMILES CCC\C=C/CO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H34NO5P/c1-2-3-4-5-12-27-21-9-8-17-13-18(6-7-19(17)14-21)20-10-11-22(23,15-20)16-28-29(24,25)26/h4-7,13,20-21H,2-3,8-12,14-16,23H2,1H3,(H2,24,25,26)/b5-4-/t20-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65075 (US10166249, Example 442 | US9522888, 442) Show SMILES COc1cccc(CO[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-4-2-3-17(11-22)15-30-23-8-7-18-12-19(5-6-20(18)13-23)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-6,11-12,21,23H,7-10,13-16,25H2,1H3,(H2,26,27,28)/t21-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair

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