Found 34 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)) | BDBM50384696
(CHEMBL2037130)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CN3CC(C3)C(O)=O)cc12 Show InChI InChI=1S/C29H24F3N3O4/c1-34-16-23(26(36)22-9-7-17(11-25(22)34)13-35-14-19(15-35)28(38)39)27(37)33-20-8-10-21(18-5-3-2-4-6-18)24(12-20)29(30,31)32/h2-12,16,19H,13-15H2,1H3,(H,33,37)(H,38,39) | 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 |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384698
(CHEMBL2037132)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnc(CO)cc12 Show InChI InChI=1S/C24H18F3N3O3/c1-30-12-19(22(32)18-11-28-16(13-31)10-21(18)30)23(33)29-15-7-8-17(14-5-3-2-4-6-14)20(9-15)24(25,26)27/h2-12,31H,13H2,1H3,(H,29,33) | 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 | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384701
(CHEMBL2037120)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cc(CO)ccc12 Show InChI InChI=1S/C25H19F3N2O3/c1-30-13-20(23(32)19-11-15(14-31)7-10-22(19)30)24(33)29-17-8-9-18(16-5-3-2-4-6-16)21(12-17)25(26,27)28/h2-13,31H,14H2,1H3,(H,29,33) | 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 | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384704
(CHEMBL2037124)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCO)cc12 Show InChI InChI=1S/C26H21F3N2O3/c1-31-15-21(24(33)20-9-7-16(11-12-32)13-23(20)31)25(34)30-18-8-10-19(17-5-3-2-4-6-17)22(14-18)26(27,28)29/h2-10,13-15,32H,11-12H2,1H3,(H,30,34) | 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 | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384696
(CHEMBL2037130)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CN3CC(C3)C(O)=O)cc12 Show InChI InChI=1S/C29H24F3N3O4/c1-34-16-23(26(36)22-9-7-17(11-25(22)34)13-35-14-19(15-35)28(38)39)27(37)33-20-8-10-21(18-5-3-2-4-6-18)24(12-20)29(30,31)32/h2-12,16,19H,13-15H2,1H3,(H,33,37)(H,38,39) | 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 | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384705
(CHEMBL2037123)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccc(C(O)=O)c12 Show InChI InChI=1S/C25H17F3N2O4/c1-30-13-19(22(31)17-8-5-9-18(21(17)30)24(33)34)23(32)29-15-10-11-16(14-6-3-2-4-7-14)20(12-15)25(26,27)28/h2-13H,1H3,(H,29,32)(H,33,34) | 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+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384702
(CHEMBL2037121)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccc(CCO)c12 Show InChI InChI=1S/C26H21F3N2O3/c1-31-15-21(24(33)20-9-5-8-17(12-13-32)23(20)31)25(34)30-18-10-11-19(16-6-3-2-4-7-16)22(14-18)26(27,28)29/h2-11,14-15,32H,12-13H2,1H3,(H,30,34) | 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 | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384693
(CHEMBL2037127)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CC(O)=O)cc12 Show InChI InChI=1S/C26H19F3N2O4/c1-31-14-20(24(34)19-9-7-15(11-22(19)31)12-23(32)33)25(35)30-17-8-10-18(16-5-3-2-4-6-16)21(13-17)26(27,28)29/h2-11,13-14H,12H2,1H3,(H,30,35)(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 | 1.60E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384700
(CHEMBL2037119)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CO)cc12 Show InChI InChI=1S/C25H19F3N2O3/c1-30-13-20(23(32)19-9-7-15(14-31)11-22(19)30)24(33)29-17-8-10-18(16-5-3-2-4-6-16)21(12-17)25(26,27)28/h2-13,31H,14H2,1H3,(H,29,33) | 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 | 18 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384701
(CHEMBL2037120)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cc(CO)ccc12 Show InChI InChI=1S/C25H19F3N2O3/c1-30-13-20(23(32)19-11-15(14-31)7-10-22(19)30)24(33)29-17-8-9-18(16-5-3-2-4-6-16)21(12-17)25(26,27)28/h2-13,31H,14H2,1H3,(H,29,33) | 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 | 700 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384695
(CHEMBL2037129)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(NCCC(O)=O)cc12 Show InChI InChI=1S/C27H22F3N3O4/c1-33-15-21(25(36)20-10-7-17(14-23(20)33)31-12-11-24(34)35)26(37)32-18-8-9-19(16-5-3-2-4-6-16)22(13-18)27(28,29)30/h2-10,13-15,31H,11-12H2,1H3,(H,32,37)(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 | 150 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384697
(CHEMBL2037131)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnc(CCC(O)=O)cc12 Show InChI InChI=1S/C26H20F3N3O4/c1-32-14-20(24(35)19-13-30-16(12-22(19)32)8-10-23(33)34)25(36)31-17-7-9-18(15-5-3-2-4-6-15)21(11-17)26(27,28)29/h2-7,9,11-14H,8,10H2,1H3,(H,31,36)(H,33,34) | 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 | 1.30E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361892
(CHEMBL1938937)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31) | 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 | 70 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384704
(CHEMBL2037124)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCO)cc12 Show InChI InChI=1S/C26H21F3N2O3/c1-31-15-21(24(33)20-9-7-16(11-12-32)13-23(20)31)25(34)30-18-8-10-19(17-5-3-2-4-6-17)22(14-18)26(27,28)29/h2-10,13-15,32H,11-12H2,1H3,(H,30,34) | 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 | 8 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384698
(CHEMBL2037132)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnc(CO)cc12 Show InChI InChI=1S/C24H18F3N3O3/c1-30-12-19(22(32)18-11-28-16(13-31)10-21(18)30)23(33)29-15-7-8-17(14-5-3-2-4-6-14)20(9-15)24(25,26)27/h2-12,31H,13H2,1H3,(H,29,33) | 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 | 18 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361892
(CHEMBL1938937)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384703
(CHEMBL2037122)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccc(CN)c12 Show InChI InChI=1S/C25H20F3N3O2/c1-31-14-20(23(32)19-9-5-8-16(13-29)22(19)31)24(33)30-17-10-11-18(15-6-3-2-4-7-15)21(12-17)25(26,27)28/h2-12,14H,13,29H2,1H3,(H,30,33) | 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 | 5.60E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384695
(CHEMBL2037129)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(NCCC(O)=O)cc12 Show InChI InChI=1S/C27H22F3N3O4/c1-33-15-21(25(36)20-10-7-17(14-23(20)33)31-12-11-24(34)35)26(37)32-18-8-9-19(16-5-3-2-4-6-16)22(13-18)27(28,29)30/h2-10,13-15,31H,11-12H2,1H3,(H,32,37)(H,34,35) | 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 | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384699
(CHEMBL2037118)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccc(CO)c12 Show InChI InChI=1S/C25H19F3N2O3/c1-30-13-20(23(32)19-9-5-8-16(14-31)22(19)30)24(33)29-17-10-11-18(15-6-3-2-4-7-15)21(12-17)25(26,27)28/h2-13,31H,14H2,1H3,(H,29,33) | 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 | 39 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384693
(CHEMBL2037127)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CC(O)=O)cc12 Show InChI InChI=1S/C26H19F3N2O4/c1-31-14-20(24(34)19-9-7-15(11-22(19)31)12-23(32)33)25(35)30-17-8-10-18(16-5-3-2-4-6-16)21(13-17)26(27,28)29/h2-11,13-14H,12H2,1H3,(H,30,35)(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 | 180 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384694
(CHEMBL2037128)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCC(O)=O)cc12 Show InChI InChI=1S/C27H21F3N2O4/c1-32-15-21(25(35)20-10-7-16(13-23(20)32)8-12-24(33)34)26(36)31-18-9-11-19(17-5-3-2-4-6-17)22(14-18)27(28,29)30/h2-7,9-11,13-15H,8,12H2,1H3,(H,31,36)(H,33,34) | 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 | 940 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384703
(CHEMBL2037122)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccc(CN)c12 Show InChI InChI=1S/C25H20F3N3O2/c1-31-14-20(23(32)19-9-5-8-16(13-29)22(19)31)24(33)30-17-10-11-18(15-6-3-2-4-7-15)21(12-17)25(26,27)28/h2-12,14H,13,29H2,1H3,(H,30,33) | 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 | 81 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384705
(CHEMBL2037123)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccc(C(O)=O)c12 Show InChI InChI=1S/C25H17F3N2O4/c1-30-13-19(22(31)17-8-5-9-18(21(17)30)24(33)34)23(32)29-15-10-11-16(14-6-3-2-4-7-14)20(12-15)25(26,27)28/h2-13H,1H3,(H,29,32)(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50361895
(CHEMBL1938940)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnccc12 Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-12-27-10-9-20(17)29)22(31)28-15-7-8-16(14-5-3-2-4-6-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31) | 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 | 24 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384691
(CHEMBL2037125)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCCO)cc12 Show InChI InChI=1S/C27H23F3N2O3/c1-32-16-22(25(34)21-11-9-17(6-5-13-33)14-24(21)32)26(35)31-19-10-12-20(18-7-3-2-4-8-18)23(15-19)27(28,29)30/h2-4,7-12,14-16,33H,5-6,13H2,1H3,(H,31,35) | 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 | 15 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384692
(CHEMBL2037126)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(cc12)C(O)=O Show InChI InChI=1S/C25H17F3N2O4/c1-30-13-19(22(31)18-9-7-15(24(33)34)11-21(18)30)23(32)29-16-8-10-17(14-5-3-2-4-6-14)20(12-16)25(26,27)28/h2-13H,1H3,(H,29,32)(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 | 21 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50361895
(CHEMBL1938940)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnccc12 Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-12-27-10-9-20(17)29)22(31)28-15-7-8-16(14-5-3-2-4-6-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31) | 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 | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384702
(CHEMBL2037121)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccc(CCO)c12 Show InChI InChI=1S/C26H21F3N2O3/c1-31-15-21(24(33)20-9-5-8-17(12-13-32)23(20)31)25(34)30-18-10-11-19(16-6-3-2-4-7-16)22(14-18)26(27,28)29/h2-11,14-15,32H,12-13H2,1H3,(H,30,34) | 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 | 390 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384694
(CHEMBL2037128)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCC(O)=O)cc12 Show InChI InChI=1S/C27H21F3N2O4/c1-32-15-21(25(35)20-10-7-16(13-23(20)32)8-12-24(33)34)26(36)31-18-9-11-19(17-5-3-2-4-6-17)22(14-18)27(28,29)30/h2-7,9-11,13-15H,8,12H2,1H3,(H,31,36)(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 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384699
(CHEMBL2037118)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccc(CO)c12 Show InChI InChI=1S/C25H19F3N2O3/c1-30-13-20(23(32)19-9-5-8-16(14-31)22(19)30)24(33)29-17-10-11-18(15-6-3-2-4-7-15)21(12-17)25(26,27)28/h2-13,31H,14H2,1H3,(H,29,33) | 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 | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384700
(CHEMBL2037119)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CO)cc12 Show InChI InChI=1S/C25H19F3N2O3/c1-30-13-20(23(32)19-9-7-15(14-31)11-22(19)30)24(33)29-17-8-10-18(16-5-3-2-4-6-16)21(12-17)25(26,27)28/h2-13,31H,14H2,1H3,(H,29,33) | 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 | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384691
(CHEMBL2037125)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCCO)cc12 Show InChI InChI=1S/C27H23F3N2O3/c1-32-16-22(25(34)21-11-9-17(6-5-13-33)14-24(21)32)26(35)31-19-10-12-20(18-7-3-2-4-8-18)23(15-19)27(28,29)30/h2-4,7-12,14-16,33H,5-6,13H2,1H3,(H,31,35) | 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 | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50384692
(CHEMBL2037126)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(cc12)C(O)=O Show InChI InChI=1S/C25H17F3N2O4/c1-30-13-19(22(31)18-9-7-15(24(33)34)11-21(18)30)23(32)29-16-8-10-17(14-5-3-2-4-6-14)20(12-16)25(26,27)28/h2-13H,1H3,(H,29,32)(H,33,34) | 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 | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP... |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50384697
(CHEMBL2037131)Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnc(CCC(O)=O)cc12 Show InChI InChI=1S/C26H20F3N3O4/c1-32-14-20(24(35)19-13-30-16(12-22(19)32)8-10-23(33)34)25(36)31-17-7-9-18(15-5-3-2-4-6-15)21(11-17)26(27,28)29/h2-7,9,11-14H,8,10H2,1H3,(H,31,36)(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 | 38 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr |
ACS Med Chem Lett 3: 74-78 (2012)
Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS |
More data for this
Ligand-Target Pair | |
Search and Browse
