Found 26 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)) | BDBM50361041
(CHEMBL1935580)Show SMILES CC(COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccccc1 |t:9| Show InChI InChI=1S/C26H31NO3/c1-18(12-20-6-4-3-5-7-20)17-30-24-10-11-25-19(2)22(9-8-21(25)13-24)14-27-15-23(16-27)26(28)29/h3-7,10-11,13,18,23H,8-9,12,14-17H2,1-2H3,(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 | 0.660 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361040
(CHEMBL1935579)Show SMILES CC(CCOc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)c1ccccc1 |t:10| Show InChI InChI=1S/C26H31NO3/c1-18(20-6-4-3-5-7-20)12-13-30-24-10-11-25-19(2)22(9-8-21(25)14-24)15-27-16-23(17-27)26(28)29/h3-7,10-11,14,18,23H,8-9,12-13,15-17H2,1-2H3,(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 | 0.600 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361045
(CHEMBL1935584)Show SMILES C[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:9| Show InChI InChI=1S/C26H30FNO3/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30)/t17-/m0/s1 | 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 | 9.45E+3 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361036
(CHEMBL1935575)Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3)ccc12 |c:1| Show InChI InChI=1S/C25H29NO3/c1-18-21(15-26-16-22(17-26)25(27)28)10-9-20-14-23(11-12-24(18)20)29-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,11-12,14,22H,5,8-10,13,15-17H2,1H3,(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 | 3 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361037
(CHEMBL1935576)Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccc(F)cc3)ccc12 |c:1| Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)7-6-19-13-23(10-11-24(17)19)30-12-2-3-18-4-8-22(26)9-5-18/h4-5,8-11,13,21H,2-3,6-7,12,14-16H2,1H3,(H,28,29) | 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 | 3.20E+3 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361038
(CHEMBL1935577)Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3cccc(F)c3)ccc12 |c:1| Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)8-7-19-13-23(9-10-24(17)19)30-11-3-5-18-4-2-6-22(26)12-18/h2,4,6,9-10,12-13,21H,3,5,7-8,11,14-16H2,1H3,(H,28,29) | 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 | 3.90E+3 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361042
(CHEMBL1935581)Show SMILES CC(CCc1ccccc1)Oc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1 |t:17| Show InChI InChI=1S/C26H31NO3/c1-18(8-9-20-6-4-3-5-7-20)30-24-12-13-25-19(2)22(11-10-21(25)14-24)15-27-16-23(17-27)26(28)29/h3-7,12-14,18,23H,8-11,15-17H2,1-2H3,(H,28,29) | 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 | 1.40E+4 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361042
(CHEMBL1935581)Show SMILES CC(CCc1ccccc1)Oc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1 |t:17| Show InChI InChI=1S/C26H31NO3/c1-18(8-9-20-6-4-3-5-7-20)30-24-12-13-25-19(2)22(11-10-21(25)14-24)15-27-16-23(17-27)26(28)29/h3-7,12-14,18,23H,8-11,15-17H2,1-2H3,(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 | 20 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361039
(CHEMBL1935578)Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3F)ccc12 |c:1| Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)9-8-19-13-22(10-11-23(17)19)30-12-4-6-18-5-2-3-7-24(18)26/h2-3,5,7,10-11,13,21H,4,6,8-9,12,14-16H2,1H3,(H,28,29) | 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 | 2.90E+3 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361041
(CHEMBL1935580)Show SMILES CC(COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccccc1 |t:9| Show InChI InChI=1S/C26H31NO3/c1-18(12-20-6-4-3-5-7-20)17-30-24-10-11-25-19(2)22(9-8-21(25)13-24)14-27-15-23(16-27)26(28)29/h3-7,10-11,13,18,23H,8-9,12,14-17H2,1-2H3,(H,28,29) | 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 | 2.08E+4 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361043
(CHEMBL1935582)Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCC(C)(C)Cc3ccccc3)ccc12 |c:1| Show InChI InChI=1S/C27H33NO3/c1-19-22(15-28-16-23(17-28)26(29)30)10-9-21-13-24(11-12-25(19)21)31-18-27(2,3)14-20-7-5-4-6-8-20/h4-8,11-13,23H,9-10,14-18H2,1-3H3,(H,29,30) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361044
(CHEMBL1935583)Show SMILES C[C@@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:9| Show InChI InChI=1S/C26H30FNO3/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30)/t17-/m1/s1 | 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 | 1.10E+4 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361046
(CHEMBL1935585)Show SMILES CC[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:10| Show InChI InChI=1S/C27H32FNO3/c1-3-19(12-20-4-8-24(28)9-5-20)17-32-25-10-11-26-18(2)22(7-6-21(26)13-25)14-29-15-23(16-29)27(30)31/h4-5,8-11,13,19,23H,3,6-7,12,14-17H2,1-2H3,(H,30,31)/t19-/m0/s1 | 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 | 2.93E+4 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361047
(CHEMBL1935586)Show SMILES CC(C)[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:11| Show InChI InChI=1S/C28H34FNO3/c1-18(2)23(12-20-4-8-25(29)9-5-20)17-33-26-10-11-27-19(3)22(7-6-21(27)13-26)14-30-15-24(16-30)28(31)32/h4-5,8-11,13,18,23-24H,6-7,12,14-17H2,1-3H3,(H,31,32)/t23-/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361044
(CHEMBL1935583)Show SMILES C[C@@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:9| Show InChI InChI=1S/C26H30FNO3/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30)/t17-/m1/s1 | 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 | 0.850 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361045
(CHEMBL1935584)Show SMILES C[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:9| Show InChI InChI=1S/C26H30FNO3/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30)/t17-/m0/s1 | 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 | 0.370 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361039
(CHEMBL1935578)Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3F)ccc12 |c:1| Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)9-8-19-13-22(10-11-23(17)19)30-12-4-6-18-5-2-3-7-24(18)26/h2-3,5,7,10-11,13,21H,4,6,8-9,12,14-16H2,1H3,(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 | 2.70 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361043
(CHEMBL1935582)Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCC(C)(C)Cc3ccccc3)ccc12 |c:1| Show InChI InChI=1S/C27H33NO3/c1-19-22(15-28-16-23(17-28)26(29)30)10-9-21-13-24(11-12-25(19)21)31-18-27(2,3)14-20-7-5-4-6-8-20/h4-8,11-13,23H,9-10,14-18H2,1-3H3,(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 | 20 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361048
(CHEMBL1935587)Show SMILES C[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(Cl)cc1 |r,t:9| Show InChI InChI=1S/C26H30ClNO3/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30)/t17-/m0/s1 | 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 | 8.20E+3 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361037
(CHEMBL1935576)Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccc(F)cc3)ccc12 |c:1| Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)7-6-19-13-23(10-11-24(17)19)30-12-2-3-18-4-8-22(26)9-5-18/h4-5,8-11,13,21H,2-3,6-7,12,14-16H2,1H3,(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 | 0.840 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361046
(CHEMBL1935585)Show SMILES CC[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:10| Show InChI InChI=1S/C27H32FNO3/c1-3-19(12-20-4-8-24(28)9-5-20)17-32-25-10-11-26-18(2)22(7-6-21(26)13-25)14-29-15-23(16-29)27(30)31/h4-5,8-11,13,19,23H,3,6-7,12,14-17H2,1-2H3,(H,30,31)/t19-/m0/s1 | 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 |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361047
(CHEMBL1935586)Show SMILES CC(C)[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:11| Show InChI InChI=1S/C28H34FNO3/c1-18(2)23(12-20-4-8-25(29)9-5-20)17-33-26-10-11-27-19(3)22(7-6-21(27)13-26)14-30-15-24(16-30)28(31)32/h4-5,8-11,13,18,23-24H,6-7,12,14-17H2,1-3H3,(H,31,32)/t23-/m0/s1 | 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 | 4.5 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361036
(CHEMBL1935575)Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3)ccc12 |c:1| Show InChI InChI=1S/C25H29NO3/c1-18-21(15-26-16-22(17-26)25(27)28)10-9-20-14-23(11-12-24(18)20)29-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,11-12,14,22H,5,8-10,13,15-17H2,1H3,(H,27,28) | 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 | 5.00E+3 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361040
(CHEMBL1935579)Show SMILES CC(CCOc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)c1ccccc1 |t:10| Show InChI InChI=1S/C26H31NO3/c1-18(20-6-4-3-5-7-20)12-13-30-24-10-11-25-19(2)22(9-8-21(25)14-24)15-27-16-23(17-27)26(28)29/h3-7,10-11,14,18,23H,8-9,12-13,15-17H2,1-2H3,(H,28,29) | 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 | 2.20E+4 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361038
(CHEMBL1935577)Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3cccc(F)c3)ccc12 |c:1| Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)8-7-19-13-23(9-10-24(17)19)30-11-3-5-18-4-2-6-22(26)12-18/h2,4,6,9-10,12-13,21H,3,5,7-8,11,14-16H2,1H3,(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 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361048
(CHEMBL1935587)Show SMILES C[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(Cl)cc1 |r,t:9| Show InChI InChI=1S/C26H30ClNO3/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30)/t17-/m0/s1 | 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 | 0.550 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level |
Bioorg Med Chem Lett 22: 144-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46 |
More data for this
Ligand-Target Pair | |
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