Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50034065 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 4
(Homo sapiens (Human)) | BDBM50356247
(CHEMBL1910662)Show SMILES CC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccccc2F)C(=O)N1CC |(-7.02,-16.96,;-6.25,-18.29,;-4.71,-18.3,;-3.79,-19.54,;-4.26,-21,;-3.01,-21.91,;-2.99,-23.45,;-4.32,-24.23,;-5.86,-24.23,;-6.33,-25.7,;-7.8,-26.18,;-5.08,-26.61,;-3.84,-25.69,;-2.51,-26.46,;-5.07,-28.15,;-6.4,-28.92,;-6.41,-30.46,;-5.07,-31.23,;-3.73,-30.46,;-3.74,-28.91,;-2.41,-28.14,;-1.77,-20.99,;-.3,-21.45,;-2.25,-19.53,;-1.36,-18.27,;.18,-18.27,)| Show InChI InChI=1S/C20H22FN3OS/c1-5-22-20-23(6-2)19(25)18(26-20)12-15-11-13(3)24(14(15)4)17-10-8-7-9-16(17)21/h7-12H,5-6H2,1-4H3/b18-12-,22-20- | 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 | 250 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356271
(CHEMBL1910655)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccccc2F)C(=O)N1C |(20.44,-13.94,;21.97,-13.77,;22.88,-15.01,;22.42,-16.48,;23.67,-17.38,;23.68,-18.92,;22.36,-19.7,;20.82,-19.71,;20.35,-21.17,;18.88,-21.65,;21.6,-22.08,;22.84,-21.16,;24.17,-21.93,;21.6,-23.62,;20.27,-24.39,;20.27,-25.94,;21.61,-26.71,;22.94,-25.93,;22.94,-24.38,;24.27,-23.61,;24.91,-16.46,;26.38,-16.92,;24.42,-15,;25.32,-13.75,)| Show InChI InChI=1S/C18H18FN3OS/c1-11-9-13(10-16-17(23)21(4)18(20-3)24-16)12(2)22(11)15-8-6-5-7-14(15)19/h5-10H,1-4H3/b16-10-,20-18- | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 205 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356249
(CHEMBL1910673)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2cccc(F)c2)C(=O)N1C Show InChI InChI=1S/C18H18FN3OS/c1-11-8-13(9-16-17(23)21(4)18(20-3)24-16)12(2)22(11)15-7-5-6-14(19)10-15/h5-10H,1-4H3/b16-9-,20-18- | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356250
(CHEMBL1910678)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(F)cc2F)C(=O)N1C |(25,5.92,;26.54,5.91,;27.46,4.68,;26.99,3.21,;28.25,2.3,;28.26,.76,;26.93,-.02,;25.39,-.02,;24.92,-1.49,;23.46,-1.97,;26.17,-2.39,;27.41,-1.48,;28.74,-2.25,;26.18,-3.93,;24.85,-4.71,;24.85,-6.25,;26.18,-7.02,;26.18,-8.56,;27.52,-6.25,;27.51,-4.7,;28.84,-3.92,;29.48,3.23,;30.95,2.76,;29,4.69,;29.89,5.94,)| Show InChI InChI=1S/C18H17F2N3OS/c1-10-7-12(8-16-17(24)22(4)18(21-3)25-16)11(2)23(10)15-6-5-13(19)9-14(15)20/h5-9H,1-4H3/b16-8-,21-18- | 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 | 210 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356251
(CHEMBL1910680)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(Cl)cc2F)C(=O)N1C |(7.51,-12.86,;9.06,-12.87,;9.97,-14.11,;9.51,-15.58,;10.76,-16.48,;10.77,-18.02,;9.45,-18.8,;7.91,-18.8,;7.43,-20.27,;5.97,-20.75,;8.69,-21.18,;9.93,-20.26,;11.25,-21.03,;8.69,-22.72,;7.36,-23.49,;7.36,-25.03,;8.7,-25.8,;8.69,-27.34,;10.03,-25.03,;10.03,-23.48,;11.36,-22.71,;12,-15.56,;13.47,-16.02,;11.51,-14.1,;12.41,-12.84,)| Show InChI InChI=1S/C18H17ClFN3OS/c1-10-7-12(8-16-17(24)22(4)18(21-3)25-16)11(2)23(10)15-6-5-13(19)9-14(15)20/h5-9H,1-4H3/b16-8-,21-18- | 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 | 440 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356252
(CHEMBL1910681)Show SMILES CC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccccc2)C(=O)N1CC Show InChI InChI=1S/C20H23N3OS/c1-5-21-20-22(6-2)19(24)18(25-20)13-16-12-14(3)23(15(16)4)17-10-8-7-9-11-17/h7-13H,5-6H2,1-4H3/b18-13-,21-20- | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 602 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356253
(CHEMBL1910682)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccccn2)C(=O)N1C Show InChI InChI=1S/C17H18N4OS/c1-11-9-13(10-14-16(22)20(4)17(18-3)23-14)12(2)21(11)15-7-5-6-8-19-15/h5-10H,1-4H3/b14-10-,18-17- | 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 | 1.80E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356254
(CHEMBL1910685)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ncccc2F)C(=O)N1C |(-7.51,5.2,;-5.97,5.2,;-5.05,3.96,;-5.52,2.49,;-4.27,1.59,;-4.25,.05,;-5.58,-.73,;-7.12,-.74,;-7.59,-2.2,;-9.06,-2.68,;-6.34,-3.11,;-5.1,-2.19,;-3.77,-2.96,;-6.33,-4.65,;-5,-5.41,;-4.99,-6.96,;-6.33,-7.74,;-7.67,-6.97,;-7.66,-5.42,;-9,-4.65,;-3.03,2.51,;-1.56,2.05,;-3.51,3.97,;-2.62,5.22,)| Show InChI InChI=1S/C17H17FN4OS/c1-10-8-12(9-14-16(23)21(4)17(19-3)24-14)11(2)22(10)15-13(18)6-5-7-20-15/h5-9H,1-4H3/b14-9-,19-17- | 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 | 3.10E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356255
(CHEMBL1910686)Show SMILES CC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ncccc2F)C(=O)N1CC |(6.57,5.78,;7.33,4.44,;8.88,4.44,;9.79,3.2,;9.33,1.73,;10.58,.82,;10.59,-.72,;9.27,-1.49,;7.73,-1.5,;7.26,-2.96,;5.79,-3.44,;8.51,-3.87,;9.75,-2.96,;11.08,-3.73,;8.51,-5.41,;9.85,-6.18,;9.85,-7.73,;8.52,-8.5,;7.18,-7.73,;7.18,-6.18,;5.85,-5.41,;11.82,1.75,;13.29,1.29,;11.33,3.21,;12.23,4.46,;13.77,4.46,)| Show InChI InChI=1S/C19H21FN4OS/c1-5-21-19-23(6-2)18(25)16(26-19)11-14-10-12(3)24(13(14)4)17-15(20)8-7-9-22-17/h7-11H,5-6H2,1-4H3/b16-11-,21-19- | 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 | 5.40E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356256
(CHEMBL1910687)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C Show InChI InChI=1S/C19H21N3OS/c1-13-10-16(11-17-18(23)21(4)19(20-3)24-17)14(2)22(13)12-15-8-6-5-7-9-15/h5-11H,12H2,1-4H3/b17-11-,20-19- | 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 | 262 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356257
(CHEMBL1910688)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3F)c2C)C(=O)N1C Show InChI InChI=1S/C19H20FN3OS/c1-12-9-15(10-17-18(24)22(4)19(21-3)25-17)13(2)23(12)11-14-7-5-6-8-16(14)20/h5-10H,11H2,1-4H3/b17-10-,21-19- | 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 | 72 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356258
(CHEMBL1910689)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1C Show InChI InChI=1S/C19H19F2N3OS/c1-11-8-13(9-17-18(25)23(4)19(22-3)26-17)12(2)24(11)10-14-15(20)6-5-7-16(14)21/h5-9H,10H2,1-4H3/b17-9-,22-19- | 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 | 92 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356259
(CHEMBL1910690)Show SMILES CC\N=C1/S\C(=C/c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1CC Show InChI InChI=1S/C21H23F2N3OS/c1-5-24-21-25(6-2)20(27)19(28-21)11-15-10-13(3)26(14(15)4)12-16-17(22)8-7-9-18(16)23/h7-11H,5-6,12H2,1-4H3/b19-11-,24-21- | 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 | 314 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356260
(CHEMBL1910691)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3ccc(F)cc3F)c2C)C(=O)N1C Show InChI InChI=1S/C19H19F2N3OS/c1-11-7-14(8-17-18(25)23(4)19(22-3)26-17)12(2)24(11)10-13-5-6-15(20)9-16(13)21/h5-9H,10H2,1-4H3/b17-8-,22-19- | 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 | 147 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356261
(CHEMBL1910692)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(CCc3ccccc3)c2C)C(=O)N1C Show InChI InChI=1S/C20H23N3OS/c1-14-12-17(13-18-19(24)22(4)20(21-3)25-18)15(2)23(14)11-10-16-8-6-5-7-9-16/h5-9,12-13H,10-11H2,1-4H3/b18-13-,21-20- | 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 | 660 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356262
(CHEMBL1910794)Show SMILES C\N=C1\NC(=O)\C(S1)=C\c1cnn(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN4OS/c1-9-10(7-13-14(21)19-15(17-2)22-13)8-18-20(9)12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,21)/b13-7- | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356263
(CHEMBL1910799)Show SMILES C\N=C1\NC(=O)\C(S1)=C\c1cc(C)n(c1C)-c1ccc(F)cc1F |(10.17,-27.95,;11.72,-27.95,;12.63,-29.19,;14.17,-29.18,;14.66,-30.64,;16.13,-31.1,;13.42,-31.56,;12.17,-30.66,;13.43,-33.1,;12.11,-33.88,;10.57,-33.89,;10.09,-35.35,;8.63,-35.83,;11.35,-36.26,;12.59,-35.34,;13.91,-36.11,;11.35,-37.8,;10.02,-38.56,;10.02,-40.1,;11.36,-40.87,;11.37,-42.41,;12.7,-40.09,;12.69,-38.55,;14.01,-37.77,)| Show InChI InChI=1S/C17H15F2N3OS/c1-9-6-11(7-15-16(23)21-17(20-3)24-15)10(2)22(9)14-5-4-12(18)8-13(14)19/h4-8H,1-3H3,(H,20,21,23)/b15-7- | 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+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356264
(CHEMBL1910800)Show SMILES CC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(F)cc2F)C(=O)N1CC |(23.57,-28.17,;24.34,-29.51,;25.88,-29.51,;26.8,-30.75,;26.33,-32.22,;27.58,-33.13,;27.6,-34.67,;26.27,-35.44,;24.73,-35.45,;24.26,-36.91,;22.79,-37.39,;25.51,-37.82,;26.75,-36.91,;28.08,-37.68,;25.51,-39.36,;24.18,-40.13,;24.19,-41.66,;25.52,-42.43,;25.53,-43.97,;26.86,-41.65,;26.85,-40.11,;28.18,-39.33,;28.82,-32.2,;30.29,-32.66,;28.34,-30.74,;29.23,-29.49,;30.77,-29.49,)| Show InChI InChI=1S/C20H21F2N3OS/c1-5-23-20-24(6-2)19(26)18(27-20)10-14-9-12(3)25(13(14)4)17-8-7-15(21)11-16(17)22/h7-11H,5-6H2,1-4H3/b18-10-,23-20- | 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 | 104 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356265
(CHEMBL1910801)Show SMILES CN1C(=O)\C(S\C1=N/CCO)=C\c1cc(C)n(Cc2ccccc2)c1C Show InChI InChI=1S/C20H23N3O2S/c1-14-11-17(15(2)23(14)13-16-7-5-4-6-8-16)12-18-19(25)22(3)20(26-18)21-9-10-24/h4-8,11-12,24H,9-10,13H2,1-3H3/b18-12-,21-20- | 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 | 396 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356266
(CHEMBL1910802)Show SMILES COCC\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C Show InChI InChI=1S/C21H25N3O2S/c1-15-12-18(16(2)24(15)14-17-8-6-5-7-9-17)13-19-20(25)23(3)21(27-19)22-10-11-26-4/h5-9,12-13H,10-11,14H2,1-4H3/b19-13-,22-21- | 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 | 68 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356267
(CHEMBL1910803)Show SMILES COCC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(F)cc2F)C(=O)N1C |(17.87,-10.04,;18.64,-11.38,;20.18,-11.38,;20.95,-12.72,;22.49,-12.72,;23.4,-13.96,;22.94,-15.43,;24.19,-16.33,;24.2,-17.87,;22.88,-18.65,;21.34,-18.66,;20.87,-20.12,;19.4,-20.6,;22.12,-21.03,;23.36,-20.11,;24.69,-20.88,;22.12,-22.57,;20.79,-23.33,;20.8,-24.87,;22.13,-25.64,;22.14,-27.18,;23.47,-24.86,;23.46,-23.32,;24.79,-22.54,;25.43,-15.41,;26.9,-15.87,;24.94,-13.95,;25.84,-12.7,)| Show InChI InChI=1S/C20H21F2N3O2S/c1-12-9-14(13(2)25(12)17-6-5-15(21)11-16(17)22)10-18-19(26)24(3)20(28-18)23-7-8-27-4/h5-6,9-11H,7-8H2,1-4H3/b18-10-,23-20- | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 56 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50356268
(CHEMBL1910791)Show SMILES COCCN1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(c1C)-c1ccc(F)cc1F |(3.05,-30.48,;1.51,-30.48,;.75,-31.82,;-.79,-31.82,;-1.69,-33.07,;-1.2,-34.54,;.27,-35,;-2.44,-35.46,;-3.69,-34.55,;-3.23,-33.09,;-4.14,-31.85,;-5.69,-31.84,;-2.43,-37,;-3.75,-37.78,;-5.29,-37.78,;-5.76,-39.25,;-7.23,-39.73,;-4.51,-40.16,;-3.27,-39.24,;-1.94,-40.01,;-4.51,-41.7,;-5.84,-42.46,;-5.83,-44,;-4.5,-44.77,;-4.49,-46.31,;-3.16,-43.98,;-3.17,-42.45,;-1.85,-41.67,)| Show InChI InChI=1S/C20H21F2N3O2S/c1-12-9-14(13(2)25(12)17-6-5-15(21)11-16(17)22)10-18-19(26)24(7-8-27-4)20(23-3)28-18/h5-6,9-11H,7-8H2,1-4H3/b18-10-,23-20- | 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 | 1.70E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses... |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356269
(CHEMBL1910653)Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/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 | 21 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50197420
((2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(...)Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1C[C@H](COP(O)([O-])=O)[NH2+][C@@H]1CO |w:19.21| Show InChI InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(21-20(19)14-22)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/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 | >1.00E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356270
(CHEMBL1910654)Show SMILES N[C@H](CNC(=O)c1cc2c(cccc2[nH]1)-c1ccccc1Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C25H23N3O3/c26-21(25(30)31)15-27-24(29)23-14-20-19(11-6-12-22(20)28-23)18-10-5-4-9-17(18)13-16-7-2-1-3-8-16/h1-12,14,21,28H,13,15,26H2,(H,27,29)(H,30,31)/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356271
(CHEMBL1910655)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccccc2F)C(=O)N1C |(20.44,-13.94,;21.97,-13.77,;22.88,-15.01,;22.42,-16.48,;23.67,-17.38,;23.68,-18.92,;22.36,-19.7,;20.82,-19.71,;20.35,-21.17,;18.88,-21.65,;21.6,-22.08,;22.84,-21.16,;24.17,-21.93,;21.6,-23.62,;20.27,-24.39,;20.27,-25.94,;21.61,-26.71,;22.94,-25.93,;22.94,-24.38,;24.27,-23.61,;24.91,-16.46,;26.38,-16.92,;24.42,-15,;25.32,-13.75,)| Show InChI InChI=1S/C18H18FN3OS/c1-11-9-13(10-16-17(23)21(4)18(20-3)24-16)12(2)22(11)15-8-6-5-7-14(15)19/h5-10H,1-4H3/b16-10-,20-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 819 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356272
(CHEMBL1910674)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(F)cc2)C(=O)N1C Show InChI InChI=1S/C18H18FN3OS/c1-11-9-13(10-16-17(23)21(4)18(20-3)24-16)12(2)22(11)15-7-5-14(19)6-8-15/h5-10H,1-4H3/b16-10-,20-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356250
(CHEMBL1910678)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(F)cc2F)C(=O)N1C |(25,5.92,;26.54,5.91,;27.46,4.68,;26.99,3.21,;28.25,2.3,;28.26,.76,;26.93,-.02,;25.39,-.02,;24.92,-1.49,;23.46,-1.97,;26.17,-2.39,;27.41,-1.48,;28.74,-2.25,;26.18,-3.93,;24.85,-4.71,;24.85,-6.25,;26.18,-7.02,;26.18,-8.56,;27.52,-6.25,;27.51,-4.7,;28.84,-3.92,;29.48,3.23,;30.95,2.76,;29,4.69,;29.89,5.94,)| Show InChI InChI=1S/C18H17F2N3OS/c1-10-7-12(8-16-17(24)22(4)18(21-3)25-16)11(2)23(10)15-6-5-13(19)9-14(15)20/h5-9H,1-4H3/b16-8-,21-18- | 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 | 4.47E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356251
(CHEMBL1910680)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(Cl)cc2F)C(=O)N1C |(7.51,-12.86,;9.06,-12.87,;9.97,-14.11,;9.51,-15.58,;10.76,-16.48,;10.77,-18.02,;9.45,-18.8,;7.91,-18.8,;7.43,-20.27,;5.97,-20.75,;8.69,-21.18,;9.93,-20.26,;11.25,-21.03,;8.69,-22.72,;7.36,-23.49,;7.36,-25.03,;8.7,-25.8,;8.69,-27.34,;10.03,-25.03,;10.03,-23.48,;11.36,-22.71,;12,-15.56,;13.47,-16.02,;11.51,-14.1,;12.41,-12.84,)| Show InChI InChI=1S/C18H17ClFN3OS/c1-10-7-12(8-16-17(24)22(4)18(21-3)25-16)11(2)23(10)15-6-5-13(19)9-14(15)20/h5-9H,1-4H3/b16-8-,21-18- | 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 | 3.01E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356252
(CHEMBL1910681)Show SMILES CC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccccc2)C(=O)N1CC Show InChI InChI=1S/C20H23N3OS/c1-5-21-20-22(6-2)19(24)18(25-20)13-16-12-14(3)23(15(16)4)17-10-8-7-9-11-17/h7-13H,5-6H2,1-4H3/b18-13-,21-20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 68 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356256
(CHEMBL1910687)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C Show InChI InChI=1S/C19H21N3OS/c1-13-10-16(11-17-18(23)21(4)19(20-3)24-17)14(2)22(13)12-15-8-6-5-7-9-15/h5-11H,12H2,1-4H3/b17-11-,20-19- | 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 | 720 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356257
(CHEMBL1910688)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3F)c2C)C(=O)N1C Show InChI InChI=1S/C19H20FN3OS/c1-12-9-15(10-17-18(24)22(4)19(21-3)25-17)13(2)23(12)11-14-7-5-6-8-16(14)20/h5-10H,11H2,1-4H3/b17-10-,21-19- | 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 | 250 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356258
(CHEMBL1910689)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1C Show InChI InChI=1S/C19H19F2N3OS/c1-11-8-13(9-17-18(25)23(4)19(22-3)26-17)12(2)24(11)10-14-15(20)6-5-7-16(14)21/h5-9H,10H2,1-4H3/b17-9-,22-19- | 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 | 34 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356259
(CHEMBL1910690)Show SMILES CC\N=C1/S\C(=C/c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1CC Show InChI InChI=1S/C21H23F2N3OS/c1-5-24-21-25(6-2)20(27)19(28-21)11-15-10-13(3)26(14(15)4)12-16-17(22)8-7-9-18(16)23/h7-11H,5-6,12H2,1-4H3/b19-11-,24-21- | 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 |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356260
(CHEMBL1910691)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3ccc(F)cc3F)c2C)C(=O)N1C Show InChI InChI=1S/C19H19F2N3OS/c1-11-7-14(8-17-18(25)23(4)19(22-3)26-17)12(2)24(11)10-13-5-6-15(20)9-16(13)21/h5-9H,10H2,1-4H3/b17-8-,22-19- | 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 | 287 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50356264
(CHEMBL1910800)Show SMILES CC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(F)cc2F)C(=O)N1CC |(23.57,-28.17,;24.34,-29.51,;25.88,-29.51,;26.8,-30.75,;26.33,-32.22,;27.58,-33.13,;27.6,-34.67,;26.27,-35.44,;24.73,-35.45,;24.26,-36.91,;22.79,-37.39,;25.51,-37.82,;26.75,-36.91,;28.08,-37.68,;25.51,-39.36,;24.18,-40.13,;24.19,-41.66,;25.52,-42.43,;25.53,-43.97,;26.86,-41.65,;26.85,-40.11,;28.18,-39.33,;28.82,-32.2,;30.29,-32.66,;28.34,-30.74,;29.23,-29.49,;30.77,-29.49,)| Show InChI InChI=1S/C20H21F2N3OS/c1-5-23-20-24(6-2)19(26)18(27-20)10-14-9-12(3)25(13(14)4)17-8-7-15(21)11-16(17)22/h7-11H,5-6H2,1-4H3/b18-10-,23-20- | 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 | 816 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50356256
(CHEMBL1910687)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C Show InChI InChI=1S/C19H21N3OS/c1-13-10-16(11-17-18(23)21(4)19(20-3)24-17)14(2)22(13)12-15-8-6-5-7-9-15/h5-11H,12H2,1-4H3/b17-11-,20-19- | 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 | 3.65E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P2 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50356269
(CHEMBL1910653)Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m0/s1 | 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 | 8.20 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50197420
((2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(...)Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1C[C@H](COP(O)([O-])=O)[NH2+][C@@H]1CO |w:19.21| Show InChI InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(21-20(19)14-22)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m1/s1 | 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 | 10.2 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50356270
(CHEMBL1910654)Show SMILES N[C@H](CNC(=O)c1cc2c(cccc2[nH]1)-c1ccccc1Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C25H23N3O3/c26-21(25(30)31)15-27-24(29)23-14-20-19(11-6-12-22(20)28-23)18-10-5-4-9-17(18)13-16-7-2-1-3-8-16/h1-12,14,21,28H,13,15,26H2,(H,27,29)(H,30,31)/t21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50356271
(CHEMBL1910655)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccccc2F)C(=O)N1C |(20.44,-13.94,;21.97,-13.77,;22.88,-15.01,;22.42,-16.48,;23.67,-17.38,;23.68,-18.92,;22.36,-19.7,;20.82,-19.71,;20.35,-21.17,;18.88,-21.65,;21.6,-22.08,;22.84,-21.16,;24.17,-21.93,;21.6,-23.62,;20.27,-24.39,;20.27,-25.94,;21.61,-26.71,;22.94,-25.93,;22.94,-24.38,;24.27,-23.61,;24.91,-16.46,;26.38,-16.92,;24.42,-15,;25.32,-13.75,)| Show InChI InChI=1S/C18H18FN3OS/c1-11-9-13(10-16-17(23)21(4)18(20-3)24-16)12(2)22(11)15-8-6-5-7-14(15)19/h5-10H,1-4H3/b16-10-,20-18- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 721 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50356272
(CHEMBL1910674)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(F)cc2)C(=O)N1C Show InChI InChI=1S/C18H18FN3OS/c1-11-9-13(10-16-17(23)21(4)18(20-3)24-16)12(2)22(11)15-7-5-14(19)6-8-15/h5-10H,1-4H3/b16-10-,20-18- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 652 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50356251
(CHEMBL1910680)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(Cl)cc2F)C(=O)N1C |(7.51,-12.86,;9.06,-12.87,;9.97,-14.11,;9.51,-15.58,;10.76,-16.48,;10.77,-18.02,;9.45,-18.8,;7.91,-18.8,;7.43,-20.27,;5.97,-20.75,;8.69,-21.18,;9.93,-20.26,;11.25,-21.03,;8.69,-22.72,;7.36,-23.49,;7.36,-25.03,;8.7,-25.8,;8.69,-27.34,;10.03,-25.03,;10.03,-23.48,;11.36,-22.71,;12,-15.56,;13.47,-16.02,;11.51,-14.1,;12.41,-12.84,)| Show InChI InChI=1S/C18H17ClFN3OS/c1-10-7-12(8-16-17(24)22(4)18(21-3)25-16)11(2)23(10)15-6-5-13(19)9-14(15)20/h5-9H,1-4H3/b16-8-,21-18- | 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 | 3.40E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50356252
(CHEMBL1910681)Show SMILES CC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccccc2)C(=O)N1CC Show InChI InChI=1S/C20H23N3OS/c1-5-21-20-22(6-2)19(24)18(25-20)13-16-12-14(3)23(15(16)4)17-10-8-7-9-11-17/h7-13H,5-6H2,1-4H3/b18-13-,21-20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 237 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50356256
(CHEMBL1910687)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C Show InChI InChI=1S/C19H21N3OS/c1-13-10-16(11-17-18(23)21(4)19(20-3)24-17)14(2)22(13)12-15-8-6-5-7-9-15/h5-11H,12H2,1-4H3/b17-11-,20-19- | 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 | 144 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50356257
(CHEMBL1910688)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3F)c2C)C(=O)N1C Show InChI InChI=1S/C19H20FN3OS/c1-12-9-15(10-17-18(24)22(4)19(21-3)25-17)13(2)23(12)11-14-7-5-6-8-16(14)20/h5-10H,11H2,1-4H3/b17-10-,21-19- | 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 | 51 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50356258
(CHEMBL1910689)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1C Show InChI InChI=1S/C19H19F2N3OS/c1-11-8-13(9-17-18(25)23(4)19(22-3)26-17)12(2)24(11)10-14-15(20)6-5-7-16(14)21/h5-9H,10H2,1-4H3/b17-9-,22-19- | 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 | 34 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50356259
(CHEMBL1910690)Show SMILES CC\N=C1/S\C(=C/c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1CC Show InChI InChI=1S/C21H23F2N3OS/c1-5-24-21-25(6-2)20(27)19(28-21)11-15-10-13(3)26(14(15)4)12-16-17(22)8-7-9-18(16)23/h7-11H,5-6,12H2,1-4H3/b19-11-,24-21- | 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 | 22 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50356260
(CHEMBL1910691)Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3ccc(F)cc3F)c2C)C(=O)N1C Show InChI InChI=1S/C19H19F2N3OS/c1-11-7-14(8-17-18(25)23(4)19(22-3)26-17)12(2)24(11)10-13-5-6-15(20)9-16(13)21/h5-9H,10H2,1-4H3/b17-8-,22-19- | 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 | 37 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50356264
(CHEMBL1910800)Show SMILES CC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(F)cc2F)C(=O)N1CC |(23.57,-28.17,;24.34,-29.51,;25.88,-29.51,;26.8,-30.75,;26.33,-32.22,;27.58,-33.13,;27.6,-34.67,;26.27,-35.44,;24.73,-35.45,;24.26,-36.91,;22.79,-37.39,;25.51,-37.82,;26.75,-36.91,;28.08,-37.68,;25.51,-39.36,;24.18,-40.13,;24.19,-41.66,;25.52,-42.43,;25.53,-43.97,;26.86,-41.65,;26.85,-40.11,;28.18,-39.33,;28.82,-32.2,;30.29,-32.66,;28.34,-30.74,;29.23,-29.49,;30.77,-29.49,)| Show InChI InChI=1S/C20H21F2N3OS/c1-5-23-20-24(6-2)19(26)18(27-20)10-14-9-12(3)25(13(14)4)17-8-7-15(21)11-16(17)22/h7-11H,5-6H2,1-4H3/b18-10-,23-20- | 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 | 6.18E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Agonist activity at S1P5 receptor |
Bioorg Med Chem Lett 21: 6739-45 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP |
More data for this
Ligand-Target Pair | |
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