Found 5851 hits of ec50 for UniProtKB: P21453 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM23163
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.00500 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells assessed as cAMP accumulation after 30 mins by HTRF analysis |
ACS Med Chem Lett 7: 283-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00448 BindingDB Entry DOI: 10.7270/Q2D79D95 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM23163
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.00560 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells assessed as ERK phosphorylation after 7 mins by alphaLISA |
ACS Med Chem Lett 7: 283-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00448 BindingDB Entry DOI: 10.7270/Q2D79D95 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | 0.00600 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50169441
(CHEMBL3806205)Show SMILES CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h9-10,14,17,21H,2-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00600 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of cAMP accumulation incubated for 10 mins by HTRF... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01695 BindingDB Entry DOI: 10.7270/Q2TQ659P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50169441
(CHEMBL3806205)Show SMILES CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h9-10,14,17,21H,2-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00600 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells assessed as cAMP accumulation after 30 mins by HTRF analysis |
ACS Med Chem Lett 7: 283-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00448 BindingDB Entry DOI: 10.7270/Q2D79D95 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50419999
(CHEMBL2018323)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)cn(C)c12 Show InChI InChI=1S/C23H22ClN3O4/c1-13(2)30-19-9-7-14(11-18(19)24)23-25-22(26-31-23)17-6-4-5-16-15(8-10-20(28)29)12-27(3)21(16)17/h4-7,9,11-13H,8,10H2,1-3H3,(H,28,29) | 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 | 0.00631 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at S1P1 receptor by Tango assay |
Bioorg Med Chem Lett 22: 2794-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R |
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 | 0.00700 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of cAMP accumulation incubated for 10 mins by HTRF... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01695 BindingDB Entry DOI: 10.7270/Q2TQ659P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM258470
(US9522888, 697)Show SMILES COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18-,23+,25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00800 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of cAMP accumulation incubated for 10 mins by HTRF... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01695 BindingDB Entry DOI: 10.7270/Q2TQ659P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420040
(CHEMBL2032300)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC(O)=O)ccc12 Show InChI InChI=1S/C22H20ClN3O4/c1-13(2)29-19-7-6-14(12-17(19)23)22-24-21(25-30-22)16-4-3-5-18-15(16)8-10-26(18)11-9-20(27)28/h3-8,10,12-13H,9,11H2,1-2H3,(H,27,28) | 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 | 0.0100 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at SIP1 receptor by tango assay |
Bioorg Med Chem Lett 22: 3973-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.095 BindingDB Entry DOI: 10.7270/Q29P32NS |
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 | 0.0120 | 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 1
(Homo sapiens (Human)) | BDBM50419980
(CHEMBL2018176)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12 Show InChI InChI=1S/C22H20ClN3O4/c1-12(2)29-18-8-6-13(10-17(18)23)22-25-21(26-30-22)16-5-3-4-15-14(7-9-19(27)28)11-24-20(15)16/h3-6,8,10-12,24H,7,9H2,1-2H3,(H,27,28) | 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 | 0.0126 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at S1P1 receptor by Tango assay |
Bioorg Med Chem Lett 22: 2794-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420110
(CHEMBL2059683)Show SMILES CCc1c(CCNCC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C24H26F3N3O3S/c1-4-17-15(10-11-28-13-21(31)32)6-5-7-18(17)22-29-23(34-30-22)16-8-9-20(33-14(2)3)19(12-16)24(25,26)27/h5-9,12,14,28H,4,10-11,13H2,1-3H3,(H,31,32) | 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 | 0.0158 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107 BindingDB Entry DOI: 10.7270/Q2F190SQ |
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 | 0.0180 | 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 | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM23163
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate r... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01109 BindingDB Entry DOI: 10.7270/Q28919KX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420111
(CHEMBL2059684)Show SMILES CCc1c(CCN(C)CC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C25H28F3N3O3S/c1-5-18-16(11-12-31(4)14-22(32)33)7-6-8-19(18)23-29-24(35-30-23)17-9-10-21(34-15(2)3)20(13-17)25(26,27)28/h6-10,13,15H,5,11-12,14H2,1-4H3,(H,32,33) | 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 | 0.0200 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107 BindingDB Entry DOI: 10.7270/Q2F190SQ |
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 | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate r... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01695 BindingDB Entry DOI: 10.7270/Q2TQ659P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041983
(CHEMBL3359523)Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F |r| Show InChI InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/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 | 0.0210 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1334-9 (2014)
Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041982
(CHEMBL3359522)Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C#N |r| Show InChI InChI=1S/C24H23ClN2O4/c1-14(2)31-21-6-3-15(9-17(21)12-26)13-30-18-4-5-20-19(11-18)23(25)24-16(10-22(28)29)7-8-27(20)24/h3-6,9,11,14,16H,7-8,10,13H2,1-2H3,(H,28,29)/t16-/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 | 0.0250 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1334-9 (2014)
Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420010
(CHEMBL2032301)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC(O)=O)cc(Cl)c12 Show InChI InChI=1S/C22H19Cl2N3O4/c1-12(2)30-18-7-6-13(10-15(18)23)22-25-21(26-31-22)14-4-3-5-17-20(14)16(24)11-27(17)9-8-19(28)29/h3-7,10-12H,8-9H2,1-2H3,(H,28,29) | 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 | 0.0251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at SIP1 receptor by tango assay |
Bioorg Med Chem Lett 22: 3973-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.095 BindingDB Entry DOI: 10.7270/Q29P32NS |
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 1
(Homo sapiens (Human)) | BDBM50250631
(CHEMBL4093489)Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0270 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by E... |
J Med Chem 60: 9508-9530 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50063864
(CHEMBL3403619 | US10676467, Compound TZ 50 13)Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33) | 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 | 0.0300 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay |
Bioorg Med Chem Lett 25: 659-63 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.089 BindingDB Entry DOI: 10.7270/Q25T3N5P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50186936
(3-(4-(5-(3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)...)Show SMILES CC(Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C)C(F)(F)F Show InChI InChI=1S/C22H18F3N3O4/c1-12-9-14(4-8-19(29)30)3-6-17(12)20-27-21(32-28-20)15-5-7-18(16(10-15)11-26)31-13(2)22(23,24)25/h3,5-7,9-10,13H,4,8H2,1-2H3,(H,29,30) | 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 | 0.0300 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake |
Bioorg Med Chem Lett 16: 3679-83 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.084 BindingDB Entry DOI: 10.7270/Q2J67GJ8 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50063864
(CHEMBL3403619 | US10676467, Compound TZ 50 13)Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33) | 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 | 0.0300 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay |
Bioorg Med Chem Lett 25: 659-63 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.089 BindingDB Entry DOI: 10.7270/Q25T3N5P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420028
(CHEMBL2032430)Show SMILES OC(=O)CCNCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N2O3/c26-25(27,28)20-15-18(7-8-19(20)17-4-2-1-3-5-17)24-30-21-14-16(6-9-22(21)33-24)10-12-29-13-11-23(31)32/h1-9,14-15,29H,10-13H2,(H,31,32) | 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 | 0.0316 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at SIP1 receptor by tango assay |
Bioorg Med Chem Lett 22: 3973-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.095 BindingDB Entry DOI: 10.7270/Q29P32NS |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420026
(CHEMBL2032428)Show SMILES OC(=O)CNCCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N2O3/c26-25(27,28)20-14-18(9-10-19(20)17-6-2-1-3-7-17)24-30-21-13-16(8-11-22(21)33-24)5-4-12-29-15-23(31)32/h1-3,6-11,13-14,29H,4-5,12,15H2,(H,31,32) | 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 | 0.0316 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at SIP1 receptor by tango assay |
Bioorg Med Chem Lett 22: 3973-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.095 BindingDB Entry DOI: 10.7270/Q29P32NS |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50419996
(CHEMBL2018320)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(N)=O)c[nH]c12 Show InChI InChI=1S/C22H21ClN4O3/c1-12(2)29-18-8-6-13(10-17(18)23)22-26-21(27-30-22)16-5-3-4-15-14(7-9-19(24)28)11-25-20(15)16/h3-6,8,10-12,25H,7,9H2,1-2H3,(H2,24,28) | 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 | 0.0316 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at S1P1 receptor by Tango assay |
Bioorg Med Chem Lett 22: 2794-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM197654
(US9216972, 7)Show SMILES OC(=O)C1CN(Cc2ccc3-c4noc(c4CCc3c2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C26H20F3N3O4/c27-26(28,29)20-21(15-4-2-1-3-5-15)30-36-24(20)23-19-9-7-16-10-14(6-8-18(16)22(19)31-35-23)11-32-12-17(13-32)25(33)34/h1-6,8,10,17H,7,9,11-13H2,(H,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| PubMed
| n/a | n/a | n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human S1P1 assessed as stimulation of cAMP accumulation |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CD0 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50419972
(CHEMBL2011746)Show SMILES CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)-c1cccc2n(CCC(O)=O)ccc12 Show InChI InChI=1S/C25H23F3N4O3S/c1-2-3-13-32(23(35)16-7-9-17(10-8-16)25(26,27)28)24-30-29-22(36-24)19-5-4-6-20-18(19)11-14-31(20)15-12-21(33)34/h4-11,14H,2-3,12-13,15H2,1H3,(H,33,34) | 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 | 0.0398 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase r... |
Bioorg Med Chem Lett 22: 2456-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.016 BindingDB Entry DOI: 10.7270/Q2571D1C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50419997
(CHEMBL2018321)Show SMILES CNC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C23H23ClN4O3/c1-13(2)30-19-9-7-14(11-18(19)24)23-27-22(28-31-23)17-6-4-5-16-15(12-26-21(16)17)8-10-20(29)25-3/h4-7,9,11-13,26H,8,10H2,1-3H3,(H,25,29) | 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 | 0.0398 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at S1P1 receptor by Tango assay |
Bioorg Med Chem Lett 22: 2794-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/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 | 0.0400 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50063877
(CHEMBL3400909)Show SMILES CC(C)Oc1ccc(COc2ccc3[nH]c4C(CC(O)=O)NCCc4c3c2)cc1C#N Show InChI InChI=1S/C24H25N3O4/c1-14(2)31-22-6-3-15(9-16(22)12-25)13-30-17-4-5-20-19(10-17)18-7-8-26-21(11-23(28)29)24(18)27-20/h3-6,9-10,14,21,26-27H,7-8,11,13H2,1-2H3,(H,28,29) | 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 | 0.0400 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay |
Bioorg Med Chem Lett 25: 659-63 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.089 BindingDB Entry DOI: 10.7270/Q25T3N5P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50063875
(CHEMBL3400910)Show SMILES CC(C)Cc1ccc(COc2ccc3[nH]c4C(CC(O)=O)NCCc4c3c2)cc1C(F)(F)F | 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 | 0.0400 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay |
Bioorg Med Chem Lett 25: 659-63 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.089 BindingDB Entry DOI: 10.7270/Q25T3N5P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50063896
(CHEMBL3403632)Show SMILES OC(=O)CC1OCCn2c1c(Cl)c1cc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)ccc21 Show InChI InChI=1S/C26H25ClF3NO4/c27-24-19-12-17(6-8-21(19)31-9-10-34-22(25(24)31)13-23(32)33)35-14-15-5-7-18(16-3-1-2-4-16)20(11-15)26(28,29)30/h5-8,11-12,16,22H,1-4,9-10,13-14H2,(H,32,33) | 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 | 0.0400 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay |
Bioorg Med Chem Lett 25: 659-63 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.089 BindingDB Entry DOI: 10.7270/Q25T3N5P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50063894
(CHEMBL3403630)Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCOC(CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F Show InChI InChI=1S/C24H23ClF3NO5/c1-13(2)34-19-6-3-14(9-17(19)24(26,27)28)12-33-15-4-5-18-16(10-15)22(25)23-20(11-21(30)31)32-8-7-29(18)23/h3-6,9-10,13,20H,7-8,11-12H2,1-2H3,(H,30,31) | 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 | 0.0400 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay |
Bioorg Med Chem Lett 25: 659-63 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.089 BindingDB Entry DOI: 10.7270/Q25T3N5P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50063895
(CHEMBL3403631)Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCOC(CC(O)=O)c4c(Cl)c3c2)cc1C#N Show InChI InChI=1S/C24H23ClN2O5/c1-14(2)32-20-6-3-15(9-16(20)12-26)13-31-17-4-5-19-18(10-17)23(25)24-21(11-22(28)29)30-8-7-27(19)24/h3-6,9-10,14,21H,7-8,11,13H2,1-2H3,(H,28,29) | 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 | 0.0400 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay |
Bioorg Med Chem Lett 25: 659-63 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.089 BindingDB Entry DOI: 10.7270/Q25T3N5P |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041981
(CHEMBL3358955)Show SMILES OC(=O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)ccc21 Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-16(5-7-21(22)17-3-1-2-4-17)15-33-20-6-8-23-19(12-20)13-24-18(14-25(31)32)9-10-30(23)24/h5-8,11-13,17-18H,1-4,9-10,14-15H2,(H,31,32) | 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 | 0.0410 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1334-9 (2014)
Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50419995
(CHEMBL2018319)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCCCC(O)=O)c[nH]c12 Show InChI InChI=1S/C24H24ClN3O4/c1-14(2)31-20-11-10-15(12-19(20)25)24-27-23(28-32-24)18-8-5-7-17-16(13-26-22(17)18)6-3-4-9-21(29)30/h5,7-8,10-14,26H,3-4,6,9H2,1-2H3,(H,29,30) | 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 | 0.0501 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at S1P1 receptor by Tango assay |
Bioorg Med Chem Lett 22: 2794-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R |
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 | 0.0620 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50186918
(3-(4-(5-(4-(S)-sec-butoxy-3-cyanophenyl)-1,2,4-oxa...)Show SMILES CC[C@H](C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C23H23N3O4/c1-4-15(3)29-20-9-7-17(12-18(20)13-24)23-25-22(26-30-23)19-8-5-16(11-14(19)2)6-10-21(27)28/h5,7-9,11-12,15H,4,6,10H2,1-3H3,(H,27,28)/t15-/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 | 0.0700 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake |
Bioorg Med Chem Lett 16: 3679-83 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.084 BindingDB Entry DOI: 10.7270/Q2J67GJ8 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM23163
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01109 BindingDB Entry DOI: 10.7270/Q28919KX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM23163
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assay |
ACS Med Chem Lett 7: 283-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00448 BindingDB Entry DOI: 10.7270/Q2D79D95 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | 0.0700 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b01695 BindingDB Entry DOI: 10.7270/Q2TQ659P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041703
(CHEMBL3358912)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0730 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m BindingDB Entry DOI: 10.7270/Q29W0H4C |
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 | 0.0770 | 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 | |
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 | 0.0770 | 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 | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041704
(CHEMBL3358911)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C27H28F3NO3/c28-27(29,30)23-12-16(6-9-20(23)17-4-2-1-3-5-17)15-34-19-8-11-24-22(14-19)21-10-7-18(13-25(32)33)26(21)31-24/h6,8-9,11-12,14,17-18,31H,1-5,7,10,13,15H2,(H,32,33) | 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 | 0.0770 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420032
(CHEMBL2032434)Show SMILES OC(=O)CCN1CCC(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C28H25F3N2O3/c29-28(30,31)23-16-21(6-8-22(23)19-4-2-1-3-5-19)27-32-24-17-20(7-9-25(24)36-27)18-10-13-33(14-11-18)15-12-26(34)35/h1-9,16-18H,10-15H2,(H,34,35) | 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 | 0.0794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at SIP1 receptor by tango assay |
Bioorg Med Chem Lett 22: 3973-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.095 BindingDB Entry DOI: 10.7270/Q29P32NS |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50419998
(CHEMBL2018322)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCc3nnn[nH]3)c[nH]c12 Show InChI InChI=1S/C22H20ClN7O2/c1-12(2)31-18-8-6-13(10-17(18)23)22-25-21(28-32-22)16-5-3-4-15-14(11-24-20(15)16)7-9-19-26-29-30-27-19/h3-6,8,10-12,24H,7,9H2,1-2H3,(H,26,27,29,30) | 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 | 0.0794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at S1P1 receptor by Tango assay |
Bioorg Med Chem Lett 22: 2794-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM22223
(3-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C22H21N3O4/c1-13(2)28-19-8-6-16(11-17(19)12-23)22-24-21(25-29-22)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27) | 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 | 0.0800 | n/a | n/a | 7.4 | 22 |
Merck Research Laboratories
| Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr... |
Bioorg Med Chem Lett 17: 828-31 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV |
More data for this Ligand-Target Pair | |