Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'chollate' and Initial = 's'   

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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50359617 (CHEMBL1928243) Show SMILES CC(C)(C)CC(N1CCC(CC1)C(F)(F)F)c1ccc(CC(O)=O)cc1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H31F6NO2/c1-25(2,3)16-23(34-12-10-20(11-13-34)27(31,32)33)21-9-4-17(15-24(35)36)14-22(21)18-5-7-19(8-6-18)26(28,29)30/h4-9,14,20,23H,10-13,15-16H2,1-3H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 21: 7277-80 (2011) Article DOI: 10.1016/j.bmcl.2011.10.047 BindingDB Entry DOI: 10.7270/Q2P55NZV
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50359617 (CHEMBL1928243) Show SMILES CC(C)(C)CC(N1CCC(CC1)C(F)(F)F)c1ccc(CC(O)=O)cc1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H31F6NO2/c1-25(2,3)16-23(34-12-10-20(11-13-34)27(31,32)33)21-9-4-17(15-24(35)36)14-22(21)18-5-7-19(8-6-18)26(28,29)30/h4-9,14,20,23H,10-13,15-16H2,1-3H3,(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 21: 7277-80 (2011) Article DOI: 10.1016/j.bmcl.2011.10.047 BindingDB Entry DOI: 10.7270/Q2P55NZV
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50359617 (CHEMBL1928243) Show SMILES CC(C)(C)CC(N1CCC(CC1)C(F)(F)F)c1ccc(CC(O)=O)cc1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H31F6NO2/c1-25(2,3)16-23(34-12-10-20(11-13-34)27(31,32)33)21-9-4-17(15-24(35)36)14-22(21)18-5-7-19(8-6-18)26(28,29)30/h4-9,14,20,23H,10-13,15-16H2,1-3H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				Bioorg Med Chem Lett 21: 7277-80 (2011) Article DOI: 10.1016/j.bmcl.2011.10.047 BindingDB Entry DOI: 10.7270/Q2P55NZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50359617 (CHEMBL1928243) Show SMILES CC(C)(C)CC(N1CCC(CC1)C(F)(F)F)c1ccc(CC(O)=O)cc1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H31F6NO2/c1-25(2,3)16-23(34-12-10-20(11-13-34)27(31,32)33)21-9-4-17(15-24(35)36)14-22(21)18-5-7-19(8-6-18)26(28,29)30/h4-9,14,20,23H,10-13,15-16H2,1-3H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 21: 7277-80 (2011) Article DOI: 10.1016/j.bmcl.2011.10.047 BindingDB Entry DOI: 10.7270/Q2P55NZV
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50359617 (CHEMBL1928243) Show SMILES CC(C)(C)CC(N1CCC(CC1)C(F)(F)F)c1ccc(CC(O)=O)cc1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H31F6NO2/c1-25(2,3)16-23(34-12-10-20(11-13-34)27(31,32)33)21-9-4-17(15-24(35)36)14-22(21)18-5-7-19(8-6-18)26(28,29)30/h4-9,14,20,23H,10-13,15-16H2,1-3H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 21: 7277-80 (2011) Article DOI: 10.1016/j.bmcl.2011.10.047 BindingDB Entry DOI: 10.7270/Q2P55NZV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50391758 (CHEMBL2146750) Show SMILES C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of COX2				ACS Med Chem Lett 2: 786-791 (2011) Article DOI: 10.1021/ml200175q BindingDB Entry DOI: 10.7270/Q2R78G9Q
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50391758 (CHEMBL2146750) Show SMILES C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				ACS Med Chem Lett 2: 786-791 (2011) Article DOI: 10.1021/ml200175q BindingDB Entry DOI: 10.7270/Q2R78G9Q
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50391758 (CHEMBL2146750) Show SMILES C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				ACS Med Chem Lett 2: 786-791 (2011) Article DOI: 10.1021/ml200175q BindingDB Entry DOI: 10.7270/Q2R78G9Q
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50391758 (CHEMBL2146750) Show SMILES C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				ACS Med Chem Lett 2: 786-791 (2011) Article DOI: 10.1021/ml200175q BindingDB Entry DOI: 10.7270/Q2R78G9Q
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50391758 (CHEMBL2146750) Show SMILES C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				ACS Med Chem Lett 2: 786-791 (2011) Article DOI: 10.1021/ml200175q BindingDB Entry DOI: 10.7270/Q2R78G9Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50391758 (CHEMBL2146750) Show SMILES C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of COX1				ACS Med Chem Lett 2: 786-791 (2011) Article DOI: 10.1021/ml200175q BindingDB Entry DOI: 10.7270/Q2R78G9Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50391758 (CHEMBL2146750) Show SMILES C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				ACS Med Chem Lett 2: 786-791 (2011) Article DOI: 10.1021/ml200175q BindingDB Entry DOI: 10.7270/Q2R78G9Q
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314403 ((R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314404 ((S)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)[C@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314405 ((S)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.02	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM23164 (CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.95	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.95	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50314402 ((R)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.79	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50314403 ((R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.62	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50314405 ((S)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P2 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM23164 (CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P2 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P2 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50314402 ((R)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P2 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	27.8	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM23164 (CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16.1	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18.8	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18.8	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314402 ((R)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	97.4	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314403 ((R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	38.2	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314405 ((S)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	922	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22.2	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P4 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM23164 (CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	137	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P4 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.39	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P4 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.39	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P4 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50314402 ((R)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16.0	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P4 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.360	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P5 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM23164 (CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P5 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P5 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P5 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50314402 ((R)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.49	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P5 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50158348 ((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.0270	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50158348 ((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.449	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50391758 (CHEMBL2146750) Show SMILES C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				ACS Med Chem Lett 2: 786-791 (2011) Article DOI: 10.1021/ml200175q BindingDB Entry DOI: 10.7270/Q2R78G9Q
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50391759 (CHEMBL2146751) Show SMILES C[C@H](C(O)=O)c1ccc([C@@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				ACS Med Chem Lett 2: 786-791 (2011) Article DOI: 10.1021/ml200175q BindingDB Entry DOI: 10.7270/Q2R78G9Q
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314402 ((R)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...) Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.286	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50314401 (2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...) Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O |r| Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.215	n/a	n/a	n/a	n/a
BiogenIdec Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay				Bioorg Med Chem Lett 20: 2264-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.006 BindingDB Entry DOI: 10.7270/Q2JS9QJS
					More data for this Ligand-Target Pair

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