Found 51 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 |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG by astemizole assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386860
(CHEMBL2048294)Show SMILES COc1cc(cc(c1)-c1nc(no1)-c1ccc2n3CCC(CC(O)=O)c3cc2c1)C#N Show InChI InChI=1S/C23H18N4O4/c1-30-18-7-13(12-24)6-17(9-18)23-25-22(26-31-23)15-2-3-19-16(8-15)10-20-14(11-21(28)29)4-5-27(19)20/h2-3,6-10,14H,4-5,11H2,1H3,(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 | 4.60 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386863
(CHEMBL2048297)Show SMILES COc1ccc(cc1C#N)-c1nc(no1)-c1ccc2n3CCC(CC(O)=O)c3cc2c1 Show InChI InChI=1S/C23H18N4O4/c1-30-20-5-3-15(9-17(20)12-24)23-25-22(26-31-23)14-2-4-18-16(8-14)10-19-13(11-21(28)29)6-7-27(18)19/h2-5,8-10,13H,6-7,11H2,1H3,(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 | 2.90 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Mus musculus (Mouse)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P3 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P3 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32) | 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 | 11 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P5 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386862
(CHEMBL2048296)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1ccc(OC(F)(F)F)c(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-19-4-2-14(8-16(19)11-27)22-28-21(29-34-22)13-1-3-17-15(7-13)9-18-12(10-20(31)32)5-6-30(17)18/h1-4,7-9,12H,5-6,10H2,(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 | 0.590 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Mus musculus (Mouse)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(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 | 1.73 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(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 | 55 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(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 | 123 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P4 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386856
(CHEMBL2048290)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1ccc(OC(F)(F)F)c(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-18-6-3-13(7-14(18)10-27)22-29-21(30-34-22)12-2-5-17-16(8-12)15-4-1-11(9-19(31)32)20(15)28-17/h2-3,5-8,11,28H,1,4,9H2,(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 | 3.20 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386857
(CHEMBL2048291)Show SMILES COc1ccc(cc1C#N)-c1nc(no1)-c1ccc2[nH]c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C23H18N4O4/c1-30-19-7-4-14(8-15(19)11-24)23-26-22(27-31-23)13-3-6-18-17(9-13)16-5-2-12(10-20(28)29)21(16)25-18/h3-4,6-9,12,25H,2,5,10H2,1H3,(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 | 4.60 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(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 | 1.10 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P4 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386854
(CHEMBL2048288)Show SMILES COc1cc(cc(c1)-c1nc(no1)-c1ccc2[nH]c3C(CC(O)=O)CCc3c2c1)C#N Show InChI InChI=1S/C23H18N4O4/c1-30-16-7-12(11-24)6-15(8-16)23-26-22(27-31-23)14-3-5-19-18(9-14)17-4-2-13(10-20(28)29)21(17)25-19/h3,5-9,13,25H,2,4,10H2,1H3,(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 | 157 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386858
(CHEMBL2048292)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2[nH]c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C25H22N4O4/c1-13(2)32-21-8-5-16(9-17(21)12-26)25-28-24(29-33-25)15-4-7-20-19(10-15)18-6-3-14(11-22(30)31)23(18)27-20/h4-5,7-10,13-14,27H,3,6,11H2,1-2H3,(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 | 7.5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32) | 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 | 239 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P4 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32) | 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 | 239 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P4 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P2 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386855
(CHEMBL2048289)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H15F6N3O3/c24-22(25,26)13-5-12(6-14(9-13)23(27,28)29)21-31-20(32-35-21)11-2-4-17-16(7-11)15-3-1-10(8-18(33)34)19(15)30-17/h2,4-7,9-10,30H,1,3,8H2,(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 | 76 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386861
(CHEMBL2048295)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H15F6N3O3/c24-22(25,26)15-6-14(7-16(10-15)23(27,28)29)21-30-20(31-35-21)12-1-2-17-13(5-12)8-18-11(9-19(33)34)3-4-32(17)18/h1-2,5-8,10-11H,3-4,9H2,(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 | 2.10 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(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 | 0.25 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(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 | 55 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(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 | 123 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P3 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32) | 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 | 11 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P5 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | 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 | 289 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P5 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Mus musculus (Mouse)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P3 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386864
(CHEMBL2048298)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2n3CCC(CC(O)=O)c3cc2c1 Show InChI InChI=1S/C25H22N4O4/c1-14(2)32-22-6-4-17(10-19(22)13-26)25-27-24(28-33-25)16-3-5-20-18(9-16)11-21-15(12-23(30)31)7-8-29(20)21/h3-6,9-11,14-15H,7-8,12H2,1-2H3,(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 | 0.610 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(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 | 0.25 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(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 | 1.10 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | 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 | 289 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P5 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P2 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P2 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P2 by beta arrestin recruitment assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50386859
(CHEMBL2048293)Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(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 | 0.760 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Mus musculus (Mouse)) | BDBM50386853
(CHEMBL2048287)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this Ligand-Target Pair | |