Found 18 hits of Enzyme Inhibition Constant Data 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)) | BDBM50045332
(CHEMBL3311354)Show SMILES Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(O)(O)=O)cc2C)cc1 |r| Show InChI InChI=1S/C24H34NO6P/c1-17-8-10-20(11-9-17)6-5-7-23(26)22-13-18(2)21(12-19(22)3)14-30-15-24(4,25)16-31-32(27,28)29/h8-13H,5-7,14-16,25H2,1-4H3,(H2,27,28,29)/t24-/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 | 6.5 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50045328
(CHEMBL3311350)Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(F)c2)cc1 |r| Show InChI InChI=1S/C22H29FNO6P/c1-16-6-8-17(9-7-16)4-3-5-21(25)18-10-11-19(20(23)12-18)13-29-14-22(2,24)15-30-31(26,27)28/h6-12H,3-5,13-15,24H2,1-2H3,(H2,26,27,28)/t22-/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 | 60 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50045329
(CHEMBL3311351)Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C22H29ClNO6P/c1-16-6-8-17(9-7-16)4-3-5-21(25)18-10-11-19(20(23)12-18)13-29-14-22(2,24)15-30-31(26,27)28/h6-12H,3-5,13-15,24H2,1-2H3,(H2,26,27,28)/t22-/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 | 220 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50045325
(CHEMBL3311106)Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)cc2)cc1 |r| Show InChI InChI=1S/C22H30NO6P/c1-17-6-8-18(9-7-17)4-3-5-21(24)20-12-10-19(11-13-20)14-28-15-22(2,23)16-29-30(25,26)27/h6-13H,3-5,14-16,23H2,1-2H3,(H2,25,26,27)/t22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50045331
(CHEMBL3311353)Show SMILES Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(O)(O)=O)c(C)c2)cc1 |r| Show InChI InChI=1S/C24H34NO6P/c1-17-8-10-20(11-9-17)6-5-7-23(26)21-12-18(2)22(19(3)13-21)14-30-15-24(4,25)16-31-32(27,28)29/h8-13H,5-7,14-16,25H2,1-4H3,(H2,27,28,29)/t24-/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 | 2.20 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50045330
(CHEMBL3311352)Show SMILES CCc1cc(ccc1COC[C@@](C)(N)COP(O)(O)=O)C(=O)CCCc1ccc(C)cc1 |r| Show InChI InChI=1S/C24H34NO6P/c1-4-20-14-21(23(26)7-5-6-19-10-8-18(2)9-11-19)12-13-22(20)15-30-16-24(3,25)17-31-32(27,28)29/h8-14H,4-7,15-17,25H2,1-3H3,(H2,27,28,29)/t24-/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 | 1.20E+4 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50045326
(CHEMBL3311348)Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(C)c2)cc1 |r| Show InChI InChI=1S/C23H32NO6P/c1-17-7-9-19(10-8-17)5-4-6-22(25)20-11-12-21(18(2)13-20)14-29-15-23(3,24)16-30-31(26,27)28/h7-13H,4-6,14-16,24H2,1-3H3,(H2,26,27,28)/t23-/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 | 3 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50045327
(CHEMBL3311349)Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)cc2C)cc1 |r| Show InChI InChI=1S/C23H32NO6P/c1-17-7-9-19(10-8-17)5-4-6-22(25)21-12-11-20(13-18(21)2)14-29-15-23(3,24)16-30-31(26,27)28/h7-13H,4-6,14-16,24H2,1-3H3,(H2,26,27,28)/t23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
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 | 2 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50045326
(CHEMBL3311348)Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(C)c2)cc1 |r| Show InChI InChI=1S/C23H32NO6P/c1-17-7-9-19(10-8-17)5-4-6-22(25)20-11-12-21(18(2)13-20)14-29-15-23(3,24)16-30-31(26,27)28/h7-13H,4-6,14-16,24H2,1-3H3,(H2,26,27,28)/t23-/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 | 180 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
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 | 7 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50045332
(CHEMBL3311354)Show SMILES Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(O)(O)=O)cc2C)cc1 |r| Show InChI InChI=1S/C24H34NO6P/c1-17-8-10-20(11-9-17)6-5-7-23(26)22-13-18(2)21(12-19(22)3)14-30-15-24(4,25)16-31-32(27,28)29/h8-13H,5-7,14-16,25H2,1-4H3,(H2,27,28,29)/t24-/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 | >2.00E+4 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50045330
(CHEMBL3311352)Show SMILES CCc1cc(ccc1COC[C@@](C)(N)COP(O)(O)=O)C(=O)CCCc1ccc(C)cc1 |r| Show InChI InChI=1S/C24H34NO6P/c1-4-20-14-21(23(26)7-5-6-19-10-8-18(2)9-11-19)12-13-22(20)15-30-16-24(3,25)17-31-32(27,28)29/h8-14H,4-7,15-17,25H2,1-3H3,(H2,27,28,29)/t24-/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 | 2.30 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50045327
(CHEMBL3311349)Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)cc2C)cc1 |r| Show InChI InChI=1S/C23H32NO6P/c1-17-7-9-19(10-8-17)5-4-6-22(25)21-12-11-20(13-18(21)2)14-29-15-23(3,24)16-30-31(26,27)28/h7-13H,4-6,14-16,24H2,1-3H3,(H2,26,27,28)/t23-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50045331
(CHEMBL3311353)Show SMILES Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(O)(O)=O)c(C)c2)cc1 |r| Show InChI InChI=1S/C24H34NO6P/c1-17-8-10-20(11-9-17)6-5-7-23(26)21-12-18(2)22(19(3)13-21)14-30-15-24(4,25)16-31-32(27,28)29/h8-13H,5-7,14-16,25H2,1-4H3,(H2,27,28,29)/t24-/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 | 340 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50045328
(CHEMBL3311350)Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(F)c2)cc1 |r| Show InChI InChI=1S/C22H29FNO6P/c1-16-6-8-17(9-7-16)4-3-5-21(25)18-10-11-19(20(23)12-18)13-29-14-22(2,24)15-30-31(26,27)28/h6-12H,3-5,13-15,24H2,1-2H3,(H2,26,27,28)/t22-/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 | 2.80 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50045329
(CHEMBL3311351)Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C22H29ClNO6P/c1-16-6-8-17(9-7-16)4-3-5-21(25)18-10-11-19(20(23)12-18)13-29-14-22(2,24)15-30-31(26,27)28/h6-12H,3-5,13-15,24H2,1-2H3,(H2,26,27,28)/t22-/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 | 4 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50045325
(CHEMBL3311106)Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)cc2)cc1 |r| Show InChI InChI=1S/C22H30NO6P/c1-17-6-8-18(9-7-17)4-3-5-21(24)20-12-10-19(11-13-20)14-28-15-22(2,23)16-29-30(25,26)27/h6-13H,3-5,14-16,23H2,1-2H3,(H2,25,26,27)/t22-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem 22: 4246-56 (2014)
Article DOI: 10.1016/j.bmc.2014.05.035 BindingDB Entry DOI: 10.7270/Q2PN9788 |
More data for this Ligand-Target Pair | |