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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
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/
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Seq ID
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Ki
IC50
Kd
EC50
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Compile Data Set for Download or QSAR
Found
3
hits of ec50 for monomerid = 50356258
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
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 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 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