Found 37 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)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]astemizole from human ERG |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041697
(CHEMBL3358915)Show SMILES CCCc1ccc(COc2ccc3[nH]c4C(CC(O)=O)CCc4c3c2)cc1C(F)(F)F Show InChI InChI=1S/C24H24F3NO3/c1-2-3-15-5-4-14(10-20(15)24(25,26)27)13-31-17-7-9-21-19(12-17)18-8-6-16(11-22(29)30)23(18)28-21/h4-5,7,9-10,12,16,28H,2-3,6,8,11,13H2,1H3,(H,29,30) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.490 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Macaca mulatta) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
NCI pathway
Reactome pathway
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| 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 |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
NCI pathway
Reactome pathway
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| 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 |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041692
(CHEMBL3358919)Show SMILES OC(=O)C[C@@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m0/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041705
(CHEMBL3358910)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCCC4)c(c3)C#N)cc21 Show InChI InChI=1S/C27H28N2O3/c28-15-20-12-17(6-9-22(20)18-4-2-1-3-5-18)16-32-21-8-11-25-24(14-21)23-10-7-19(13-26(30)31)27(23)29-25/h6,8-9,11-12,14,18-19,29H,1-5,7,10,13,16H2,(H,30,31) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0870 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM23165
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1 | PDB
Reactome pathway
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.00600 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041811
(CHEMBL3358906)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(OC(F)(F)F)c(c3)C#N)cc21 | PDB
Reactome pathway
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Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041695
(CHEMBL3358916)Show SMILES CC(C)(C)Cc1ccc(COc2ccc3[nH]c4C(CC(O)=O)CCc4c3c2)cc1C(F)(F)F Show InChI InChI=1S/C26H28F3NO3/c1-25(2,3)13-17-5-4-15(10-21(17)26(27,28)29)14-33-18-7-9-22-20(12-18)19-8-6-16(11-23(31)32)24(19)30-22/h4-5,7,9-10,12,16,30H,6,8,11,13-14H2,1-3H3,(H,31,32) | PDB
Reactome pathway
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Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041698
(CHEMBL3358914)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C24H22F3NO3/c25-24(26,27)20-9-13(1-6-17(20)14-2-3-14)12-31-16-5-8-21-19(11-16)18-7-4-15(10-22(29)30)23(18)28-21/h1,5-6,8-9,11,14-15,28H,2-4,7,10,12H2,(H,29,30) | PDB
Reactome pathway
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Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041703
(CHEMBL3358912)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32) | PDB
Reactome pathway
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Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041706
(CHEMBL3358909)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(Cl)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C21H17ClF3NO3/c22-17-5-1-11(7-16(17)21(23,24)25)10-29-13-3-6-18-15(9-13)14-4-2-12(8-19(27)28)20(14)26-18/h1,3,5-7,9,12,26H,2,4,8,10H2,(H,27,28) | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 159 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041708
(CHEMBL3358907)Show SMILES COc1ccc(COc2ccc3[nH]c4C(CC(O)=O)CCc4c3c2)cc1C#N Show InChI InChI=1S/C22H20N2O4/c1-27-20-7-2-13(8-15(20)11-23)12-28-16-4-6-19-18(10-16)17-5-3-14(9-21(25)26)22(17)24-19/h2,4,6-8,10,14,24H,3,5,9,12H2,1H3,(H,25,26) | PDB
Reactome pathway
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Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041812
(CHEMBL3358905)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc21 | PDB
Reactome pathway
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| 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 S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
NCI pathway
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Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P5 receptor by beta-arrestin recruitment assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041704
(CHEMBL3358911)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C27H28F3NO3/c28-27(29,30)23-12-16(6-9-20(23)17-4-2-1-3-5-17)15-34-19-8-11-24-22(14-19)21-10-7-18(13-25(32)33)26(21)31-24/h6,8-9,11-12,14,17-18,31H,1-5,7,10,13,15H2,(H,32,33) | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0770 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Mus musculus (Mouse)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Canis lupus familiaris) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
UniProtKB/TrEMBL
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| n/a | n/a | n/a | n/a | 0.340 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
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Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041707
(CHEMBL3358908)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C#N)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)18-7-12(1-2-14(18)10-26)11-30-15-4-6-19-17(9-15)16-5-3-13(8-20(28)29)21(16)27-19/h1-2,4,6-7,9,13,27H,3,5,8,11H2,(H,28,29) | PDB
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| n/a | n/a | n/a | n/a | 141 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041694
(CHEMBL3358917)Show SMILES CC(C)Cc1ccc(COc2ccc3[nH]c4C(CC(O)=O)CCc4c3c2)cc1C(F)(F)F Show InChI InChI=1S/C25H26F3NO3/c1-14(2)9-16-4-3-15(10-21(16)25(26,27)28)13-32-18-6-8-22-20(12-18)19-7-5-17(11-23(30)31)24(19)29-22/h3-4,6,8,10,12,14,17,29H,5,7,9,11,13H2,1-2H3,(H,30,31) | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.440 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | NCI pathway
Reactome pathway
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| n/a | n/a | n/a | n/a | 147 | 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 |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041699
(CHEMBL3358913)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C25H24F3NO3/c26-25(27,28)21-10-14(4-7-18(21)15-2-1-3-15)13-32-17-6-9-22-20(12-17)19-8-5-16(11-23(30)31)24(19)29-22/h4,6-7,9-10,12,15-16,29H,1-3,5,8,11,13H2,(H,30,31) | PDB
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| n/a | n/a | n/a | n/a | 0.450 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50158348
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.0620 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041693
(CHEMBL3358918)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(CC4CCCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/C28H30F3NO3/c29-28(30,31)24-13-18(6-7-19(24)12-17-4-2-1-3-5-17)16-35-21-9-11-25-23(15-21)22-10-8-20(14-26(33)34)27(22)32-25/h6-7,9,11,13,15,17,20,32H,1-5,8,10,12,14,16H2,(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 | 4.60 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50041813
(CHEMBL3358904)Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3cc(OC(F)(F)F)cc(c3)C#N)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 | 16 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
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