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1 similar compounds to monomer 50065610

Compile data set for download or QSAR
Wt: 584.6
BDBM50065609

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50065609   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50065609
PNG
(CHEMBL3401381)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C31H37FN2O6S/c1-4-22(5-2)21-31(36)14-16-34(17-15-31)30(35)33-24-18-27(39-25-8-6-23(32)7-9-25)20-28(19-24)40-26-10-12-29(13-11-26)41(3,37)38/h6-13,18-20,22,36H,4-5,14-17,21H2,1-3H3,(H,33,35)
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n/an/a 58n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 min...


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50065609
PNG
(CHEMBL3401381)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C31H37FN2O6S/c1-4-22(5-2)21-31(36)14-16-34(17-15-31)30(35)33-24-18-27(39-25-8-6-23(32)7-9-25)20-28(19-24)40-26-10-12-29(13-11-26)41(3,37)38/h6-13,18-20,22,36H,4-5,14-17,21H2,1-3H3,(H,33,35)
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n/an/a>800n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by...


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50065609
PNG
(CHEMBL3401381)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C31H37FN2O6S/c1-4-22(5-2)21-31(36)14-16-34(17-15-31)30(35)33-24-18-27(39-25-8-6-23(32)7-9-25)20-28(19-24)40-26-10-12-29(13-11-26)41(3,37)38/h6-13,18-20,22,36H,4-5,14-17,21H2,1-3H3,(H,33,35)
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n/an/a 45n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50065609
PNG
(CHEMBL3401381)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C31H37FN2O6S/c1-4-22(5-2)21-31(36)14-16-34(17-15-31)30(35)33-24-18-27(39-25-8-6-23(32)7-9-25)20-28(19-24)40-26-10-12-29(13-11-26)41(3,37)38/h6-13,18-20,22,36H,4-5,14-17,21H2,1-3H3,(H,33,35)
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n/an/a>800n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by...


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50065609
PNG
(CHEMBL3401381)
Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C31H37FN2O6S/c1-4-22(5-2)21-31(36)14-16-34(17-15-31)30(35)33-24-18-27(39-25-8-6-23(32)7-9-25)20-28(19-24)40-26-10-12-29(13-11-26)41(3,37)38/h6-13,18-20,22,36H,4-5,14-17,21H2,1-3H3,(H,33,35)
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n/an/a>800n/an/an/an/an/an/a



Ono Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P3 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by...


Bioorg Med Chem Lett 25: 1479-82 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.029
BindingDB Entry DOI: 10.7270/Q2D79D3G
More data for this
Ligand-Target Pair