Found 46 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | 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 | 0.230 | n/a | n/a | 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 | 0.230 | n/a | n/a | 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)) | BDBM50063873
(CHEMBL3400912)Show SMILES CS(=O)(=O)c1ccc(COc2ccc3[nH]c4C(CC(O)=O)NCCc4c3c2)cc1 | 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 | 1.00E+4 | 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)) | BDBM50063888
(CHEMBL3403624)Show SMILES CCOc1ccc(COc2ccc3n4CCCC(CC(O)=O)c4cc3c2)cc1OCC Show InChI InChI=1S/C25H29NO5/c1-3-29-23-10-7-17(12-24(23)30-4-2)16-31-20-8-9-21-19(13-20)14-22-18(15-25(27)28)6-5-11-26(21)22/h7-10,12-14,18H,3-6,11,15-16H2,1-2H3,(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 | 170 | 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)) | BDBM50063891
(CHEMBL3403627)Show SMILES OC(=O)CC1OCCn2c1cc1cc(OCc3ccc(OCF)c(c3)C(F)(F)F)ccc21 Show InChI InChI=1S/C22H19F4NO5/c23-12-32-19-4-1-13(7-16(19)22(24,25)26)11-31-15-2-3-17-14(8-15)9-18-20(10-21(28)29)30-6-5-27(17)18/h1-4,7-9,20H,5-6,10-12H2,(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 | 11 | 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)) | BDBM50063898
(CHEMBL3403634)Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCNC(CC(O)=O)c4cc3c2)cc1C(F)(F)F Show InChI InChI=1S/C24H25F3N2O4/c1-14(2)33-22-6-3-15(9-18(22)24(25,26)27)13-32-17-4-5-20-16(10-17)11-21-19(12-23(30)31)28-7-8-29(20)21/h3-6,9-11,14,19,28H,7-8,12-13H2,1-2H3,(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 | 0.670 | 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 | 0.830 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor by beta-arrestin recruitment 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 5
(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
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 | 5.80 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P5 receptor by beta-arrestin recruitment 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)) | BDBM50063860
(CHEMBL3403621)Show SMILES OC(=O)CC1CCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C27H28F3NO3/c28-27(29,30)23-12-16(8-10-20(23)17-4-1-2-5-17)15-34-19-9-11-24-22(14-19)21-7-3-6-18(13-25(32)33)26(21)31-24/h8-12,14,17-18,31H,1-7,13,15H2,(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 | 2 | 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)) | BDBM50063874
(CHEMBL3400911)Show SMILES CC(C)(C)c1ccc(COc2ccc3[nH]c4C(CC(O)=O)NCCc4c3c2)cc1 Show InChI InChI=1S/C24H28N2O3/c1-24(2,3)16-6-4-15(5-7-16)14-29-17-8-9-20-19(12-17)18-10-11-25-21(13-22(27)28)23(18)26-20/h4-9,12,21,25-26H,10-11,13-14H2,1-3H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 19 | 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)) | 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)) | BDBM50063880
(CHEMBL3400906)Show SMILES OC(=O)CC1CCCn2c1cc1cc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)ccc21 Show InChI InChI=1S/C27H28F3NO3/c28-27(29,30)23-12-17(7-9-22(23)18-4-1-2-5-18)16-34-21-8-10-24-20(13-21)14-25-19(15-26(32)33)6-3-11-31(24)25/h7-10,12-14,18-19H,1-6,11,15-16H2,(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 | 2.30 | 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)) | BDBM50063887
(CHEMBL3403623)Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCCC(CC(O)=O)c4cc3c2)cc1C(F)(F)F Show InChI InChI=1S/C25H26F3NO4/c1-15(2)33-23-8-5-16(10-20(23)25(26,27)28)14-32-19-6-7-21-18(11-19)12-22-17(13-24(30)31)4-3-9-29(21)22/h5-8,10-12,15,17H,3-4,9,13-14H2,1-2H3,(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 | 3.30 | 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)) | BDBM50063890
(CHEMBL3403626)Show SMILES OC(=O)CC1OCCn2c1cc1cc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)ccc21 Show InChI InChI=1S/C26H26F3NO4/c27-26(28,29)21-11-16(5-7-20(21)17-3-1-2-4-17)15-34-19-6-8-22-18(12-19)13-23-24(14-25(31)32)33-10-9-30(22)23/h5-8,11-13,17,24H,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 | 0.140 | 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)) | BDBM50063893
(CHEMBL3403629)Show SMILES OC(=O)CC1OCCn2c1cc1cc(OCc3ccc(OC(CF)CF)c(Cl)c3)ccc21 Show InChI InChI=1S/C23H22ClF2NO5/c24-18-7-14(1-4-21(18)32-17(11-25)12-26)13-31-16-2-3-19-15(8-16)9-20-22(10-23(28)29)30-6-5-27(19)20/h1-4,7-9,17,22H,5-6,10-13H2,(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 | 0.480 | 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)) | BDBM50063900
(CHEMBL3403636)Show SMILES CN1CCn2c(C1CC(O)=O)c(Cl)c1cc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)ccc21 Show InChI InChI=1S/C27H28ClF3N2O3/c1-32-10-11-33-22-9-7-18(13-20(22)25(28)26(33)23(32)14-24(34)35)36-15-16-6-8-19(17-4-2-3-5-17)21(12-16)27(29,30)31/h6-9,12-13,17,23H,2-5,10-11,14-15H2,1H3,(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 | 0.150 | 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
(Rattus norvegicus) | 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
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 rat 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)) | BDBM50063866
(CHEMBL3403617)Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(Cl)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C21H18ClF3N2O3/c22-16-3-1-11(7-15(16)21(23,24)25)10-30-12-2-4-17-14(8-12)13-5-6-26-18(9-19(28)29)20(13)27-17/h1-4,7-8,18,26-27H,5-6,9-10H2,(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 | 150 | 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)) | BDBM50063868
(CHEMBL3400916)Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(OC(F)(F)F)c(Cl)c3)cc21 Show InChI InChI=1S/C21H18ClF3N2O4/c22-15-7-11(1-4-18(15)31-21(23,24)25)10-30-12-2-3-16-14(8-12)13-5-6-26-17(9-19(28)29)20(13)27-16/h1-4,7-8,17,26-27H,5-6,9-10H2,(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 | 0.300 | 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)) | 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)) | BDBM50063889
(CHEMBL3403625)Show SMILES OC(=O)CC1OCCn2c1cc1cc(OCc3cc(OC(F)(F)F)cc(c3)C#N)ccc21 Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)32-17-6-13(11-26)5-14(7-17)12-31-16-1-2-18-15(8-16)9-19-20(10-21(28)29)30-4-3-27(18)19/h1-2,5-9,20H,3-4,10,12H2,(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 | 6.80 | 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)) | BDBM50063897
(CHEMBL3403633)Show SMILES CC(C)Cc1ccc(COc2ccc3n4CCNC(CC(O)=O)c4cc3c2)cc1C(F)(F)F Show InChI InChI=1S/C25H27F3N2O3/c1-15(2)9-17-4-3-16(10-20(17)25(26,27)28)14-33-19-5-6-22-18(11-19)12-23-21(13-24(31)32)29-7-8-30(22)23/h3-6,10-12,15,21,29H,7-9,13-14H2,1-2H3,(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 | 2.10 | 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)) | BDBM50063860
(CHEMBL3403621)Show SMILES OC(=O)CC1CCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C27H28F3NO3/c28-27(29,30)23-12-16(8-10-20(23)17-4-1-2-5-17)15-34-19-9-11-24-22(14-19)21-7-3-6-18(13-25(32)33)26(21)31-24/h8-12,14,17-18,31H,1-7,13,15H2,(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 | 2 | 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)) | BDBM50063865
(CHEMBL3403618)Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3cccc(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C21H19F3N2O3/c22-21(23,24)13-3-1-2-12(8-13)11-29-14-4-5-17-16(9-14)15-6-7-25-18(10-19(27)28)20(15)26-17/h1-5,8-9,18,25-26H,6-7,10-11H2,(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 | 170 | 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)) | BDBM50063867
(CHEMBL3400917)Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(cc3)C(F)(F)F)cc21 | 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 | 400 | 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)) | BDBM50063872
(CHEMBL3400913)Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3cc(OC(F)(F)F)cc(c3)C#N)cc21 Show InChI InChI=1S/C22H18F3N3O4/c23-22(24,25)32-15-6-12(10-26)5-13(7-15)11-31-14-1-2-18-17(8-14)16-3-4-27-19(9-20(29)30)21(16)28-18/h1-2,5-8,19,27-28H,3-4,9,11H2,(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 | 220 | 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)) | BDBM50063862
(CHEMBL3403622)Show SMILES OC(=O)CC1OCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C26H26F3NO4/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)19-9-10-33-23(13-24(31)32)25(19)30-22/h5-8,11-12,16,23,30H,1-4,9-10,13-14H2,(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 | 0.410 | 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)) | BDBM50063863
(CHEMBL3403620)Show SMILES CC1(CC(O)=O)OCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C27H28F3NO4/c1-26(14-24(32)33)25-20(10-11-35-26)21-13-18(7-9-23(21)31-25)34-15-16-6-8-19(17-4-2-3-5-17)22(12-16)27(28,29)30/h6-9,12-13,17,31H,2-5,10-11,14-15H2,1H3,(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 | 2.20 | 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)) | 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 | 1.20 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor by beta-arrestin recruitment 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 2
(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
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+4 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P2 receptor by beta-arrestin recruitment 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 4
(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) | 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 | 26 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P4 receptor by beta-arrestin recruitment 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)) | BDBM50063878
(CHEMBL3400908)Show SMILES OC(=O)CC1CCCn2c1cc1cc(OCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)ccc21 Show InChI InChI=1S/C23H19F6NO3/c24-22(25,26)16-6-13(7-17(11-16)23(27,28)29)12-33-18-3-4-19-15(8-18)9-20-14(10-21(31)32)2-1-5-30(19)20/h3-4,6-9,11,14H,1-2,5,10,12H2,(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 | 22 | 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)) | BDBM50063879
(CHEMBL3400907)Show SMILES OC(=O)CC1CCCn2c1cc1cc(OCc3cc(OC(F)(F)F)cc(c3)C#N)ccc21 Show InChI InChI=1S/C23H19F3N2O4/c24-23(25,26)32-19-7-14(12-27)6-15(8-19)13-31-18-3-4-20-17(9-18)10-21-16(11-22(29)30)2-1-5-28(20)21/h3-4,6-10,16H,1-2,5,11,13H2,(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 | 25 | 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)) | BDBM50063892
(CHEMBL3403628)Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCOC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O5/c1-15(2)31-22-6-3-16(9-18(22)13-25)14-30-19-4-5-20-17(10-19)11-21-23(12-24(27)28)29-8-7-26(20)21/h3-6,9-11,15,23H,7-8,12,14H2,1-2H3,(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 | 1.70 | 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)) | BDBM50063899
(CHEMBL3403635)Show SMILES CN1CCn2c(C1CC(O)=O)c(Cl)c1cc(OCc3cc(OC(F)(F)F)cc(c3)C#N)ccc21 Show InChI InChI=1S/C23H19ClF3N3O4/c1-29-4-5-30-18-3-2-15(9-17(18)21(24)22(30)19(29)10-20(31)32)33-12-14-6-13(11-28)7-16(8-14)34-23(25,26)27/h2-3,6-9,19H,4-5,10,12H2,1H3,(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 | 1.70 | 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
(Canis lupus familiaris) | 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
UniProtKB/TrEMBL
B.MOAD
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 dog 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 3
(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
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+4 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor by beta-arrestin recruitment 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)) | BDBM50063863
(CHEMBL3403620)Show SMILES CC1(CC(O)=O)OCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C27H28F3NO4/c1-26(14-24(32)33)25-20(10-11-35-26)21-13-18(7-9-23(21)31-25)34-15-16-6-8-19(17-4-2-3-5-17)22(12-16)27(28,29)30/h6-9,12-13,17,31H,2-5,10-11,14-15H2,1H3,(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 | 2.20 | 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)) | 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)) | 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
(Mus musculus (Mouse)) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse 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)) | BDBM50063869
(CHEMBL3400915)Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(Cl)c(Cl)c3)cc21 Show InChI InChI=1S/C20H18Cl2N2O3/c21-15-3-1-11(7-16(15)22)10-27-12-2-4-17-14(8-12)13-5-6-23-18(9-19(25)26)20(13)24-17/h1-4,7-8,18,23-24H,5-6,9-10H2,(H,25,26) | 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 | 1.00E+4 | 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)) | BDBM50063871
(CHEMBL3400914)Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3cccc(OC(F)(F)F)c3)cc21 Show InChI InChI=1S/C21H19F3N2O4/c22-21(23,24)30-14-3-1-2-12(8-14)11-29-13-4-5-17-16(9-13)15-6-7-25-18(10-19(27)28)20(15)26-17/h1-5,8-9,18,25-26H,6-7,10-11H2,(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 | 290 | 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 | |
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