Found 12 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM23163' 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 3
(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
NCI pathway Reactome pathway KEGG
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| 13 | -41.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Mitsubishi Pharma Corporation
| Assay Description Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ... |
Bioorg Med Chem 13: 425-32 (2005)
Article DOI: 10.1016/j.bmc.2004.10.008 BindingDB Entry DOI: 10.7270/Q257199Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 3
(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
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 3 expressed on CHO cell membranes |
Bioorg Med Chem Lett 14: 3351-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.106 BindingDB Entry DOI: 10.7270/Q2QN667K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 3
(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
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells |
J Med Chem 47: 6662-5 (2004)
Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 3
(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
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor by GTPgammaS binding 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 3
(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
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 53: 3154-68 (2010)
Article DOI: 10.1021/jm901776q BindingDB Entry DOI: 10.7270/Q2HH6K7W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 3
(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
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description Effective concentration against sphingosine 1-phosphate receptor 3 determined by a [c-35S]-GTP binding assay |
Bioorg Med Chem Lett 15: 3568-72 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.097 BindingDB Entry DOI: 10.7270/Q2RF5VSG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 3
(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
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Peking Union Medical College and Chinese Academy of Medical Sciences
Curated by ChEMBL
| Assay Description Agonist activity at S1PR3 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127141 BindingDB Entry DOI: 10.7270/Q24M984K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 3
(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
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at recombinant human S1P3 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins ... |
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 3
(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
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 98 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01979 BindingDB Entry DOI: 10.7270/Q2WM1JHM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 3
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | 7.4 | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Agonism of human S1P-3 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand |
J Med Chem 48: 5373-7 (2005)
Article DOI: 10.1021/jm050242f BindingDB Entry DOI: 10.7270/Q218361R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 3
(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
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a |
Peking Union Medical College and Chinese Academy of Medical Sciences
Curated by ChEMBL
| Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay |
Eur J Med Chem 85: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.081 BindingDB Entry DOI: 10.7270/Q2X92D0T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 3
(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
NCI pathway Reactome pathway KEGG
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CHEMBL MCE PC cid PC sid PDB UniChem
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| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description Activity at human S1P3 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem 15: 663-77 (2006)
Article DOI: 10.1016/j.bmc.2006.10.060 BindingDB Entry DOI: 10.7270/Q2FN15VV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |