Found 9 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50386853' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | 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 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 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) | 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
(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
(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 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 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
(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 | |
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