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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50027957   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50027957
PNG
(CHEMBL3341785)
Show SMILES N[C@H](COc1cc(Cl)c(cc1F)-c1nc(no1)N1CCN(CC1)C(=O)C1CCCC1)COP(O)(O)=O |r|
Show InChI InChI=1S/C21H28ClFN5O7P/c22-16-10-18(33-11-14(24)12-34-36(30,31)32)17(23)9-15(16)19-25-21(26-35-19)28-7-5-27(6-8-28)20(29)13-3-1-2-4-13/h9-10,13-14H,1-8,11-12,24H2,(H2,30,31,32)/t14-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 0.5n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay


Bioorg Med Chem Lett 24: 4807-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.003
BindingDB Entry DOI: 10.7270/Q28C9XT7
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50027957
PNG
(CHEMBL3341785)
Show SMILES N[C@H](COc1cc(Cl)c(cc1F)-c1nc(no1)N1CCN(CC1)C(=O)C1CCCC1)COP(O)(O)=O |r|
Show InChI InChI=1S/C21H28ClFN5O7P/c22-16-10-18(33-11-14(24)12-34-36(30,31)32)17(23)9-15(16)19-25-21(26-35-19)28-7-5-27(6-8-28)20(29)13-3-1-2-4-13/h9-10,13-14H,1-8,11-12,24H2,(H2,30,31,32)/t14-/m1/s1
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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 940n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in human EDG3-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay


Bioorg Med Chem Lett 24: 4807-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.003
BindingDB Entry DOI: 10.7270/Q28C9XT7
More data for this
Ligand-Target Pair