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8 similar compounds to monomer 50347150

Compile data set for download or QSAR
Wt: 353.4
BDBM50337596
Wt: 353.4
BDBM50337597
Wt: 339.4
BDBM50337599
Wt: 353.4
BDBM50347149
Wt: 367.4
BDBM50347151
Wt: 383.4
BDBM50347153
Wt: 367.4
BDBM50347154
Wt: 367.4
BDBM50347157

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50337596,50337597,50337599,50347149,50347151,50347153,50347154,50347157   
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 1


(Homo sapiens (Human))
BDBM50337596
PNG
(CHEMBL1683048 | cis-3-(3-(4-(3-phenylpropoxy)pheny...)
Show SMILES C\C(=C\CNCCC(O)=O)c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C22H27NO3/c1-18(13-15-23-16-14-22(24)25)20-9-11-21(12-10-20)26-17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-13,23H,5,8,14-17H2,1H3,(H,24,25)/b18-13-
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n/an/an/an/a 930n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 1390-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.029
BindingDB Entry DOI: 10.7270/Q26973VP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347149
PNG
(CHEMBL1797414)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C22H27NO3/c24-22(25)15-17-23-16-6-10-20-11-13-21(14-12-20)26-18-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,10-14,23H,4-5,9,15-18H2,(H,24,25)/b10-6+
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n/an/an/an/a 120n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50337599
PNG
((E/Z)-3-(3-(4-(3-phenylpropoxy)phenyl)allylamino)p...)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C21H25NO3/c23-21(24)14-16-22-15-4-8-19-10-12-20(13-11-19)25-17-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,22H,5,9,14-17H2,(H,23,24)/b8-4+
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n/an/an/an/a 70n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 1390-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.029
BindingDB Entry DOI: 10.7270/Q26973VP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50337596
PNG
(CHEMBL1683048 | cis-3-(3-(4-(3-phenylpropoxy)pheny...)
Show SMILES C\C(=C\CNCCC(O)=O)c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C22H27NO3/c1-18(13-15-23-16-14-22(24)25)20-9-11-21(12-10-20)26-17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-13,23H,5,8,14-17H2,1H3,(H,24,25)/b18-13-
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 1390-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.029
BindingDB Entry DOI: 10.7270/Q26973VP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50337597
PNG
(CHEMBL1683047 | trans-3-(3-(4-(3-phenylpropoxy)phe...)
Show SMILES C\C(=C/CNCCC(O)=O)c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C22H27NO3/c1-18(13-15-23-16-14-22(24)25)20-9-11-21(12-10-20)26-17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-13,23H,5,8,14-17H2,1H3,(H,24,25)/b18-13+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 1390-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.029
BindingDB Entry DOI: 10.7270/Q26973VP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50337599
PNG
((E/Z)-3-(3-(4-(3-phenylpropoxy)phenyl)allylamino)p...)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C21H25NO3/c23-21(24)14-16-22-15-4-8-19-10-12-20(13-11-19)25-17-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,22H,5,9,14-17H2,(H,23,24)/b8-4+
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n/an/an/an/a 3.30E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 1390-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.029
BindingDB Entry DOI: 10.7270/Q26973VP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50337599
PNG
((E/Z)-3-(3-(4-(3-phenylpropoxy)phenyl)allylamino)p...)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C21H25NO3/c23-21(24)14-16-22-15-4-8-19-10-12-20(13-11-19)25-17-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,22H,5,9,14-17H2,(H,23,24)/b8-4+
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n/an/an/an/a 3.30E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347149
PNG
(CHEMBL1797414)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C22H27NO3/c24-22(25)15-17-23-16-6-10-20-11-13-21(14-12-20)26-18-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,10-14,23H,4-5,9,15-18H2,(H,24,25)/b10-6+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347151
PNG
(CHEMBL1797500)
Show SMILES Cc1cc(\C=C\CNCCC(O)=O)ccc1OCCCCc1ccccc1
Show InChI InChI=1S/C23H29NO3/c1-19-18-21(11-7-15-24-16-14-23(25)26)12-13-22(19)27-17-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347153
PNG
(CHEMBL1797502)
Show SMILES COc1cc(OCCCCc2ccccc2)ccc1\C=C\CNCCC(O)=O
Show InChI InChI=1S/C23H29NO4/c1-27-22-18-21(28-17-6-5-10-19-8-3-2-4-9-19)13-12-20(22)11-7-15-24-16-14-23(25)26/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347154
PNG
(CHEMBL1797503)
Show SMILES Cc1cc(OCCCCc2ccccc2)ccc1\C=C\CNCCC(O)=O
Show InChI InChI=1S/C23H29NO3/c1-19-18-22(27-17-6-5-10-20-8-3-2-4-9-20)13-12-21(19)11-7-15-24-16-14-23(25)26/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347157
PNG
(CHEMBL1797506)
Show SMILES C\C(CNCCC(O)=O)=C/c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C23H29NO3/c1-19(18-24-15-14-23(25)26)17-21-10-12-22(13-11-21)27-16-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,10-13,17,24H,5-6,9,14-16,18H2,1H3,(H,25,26)/b19-17+
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n/an/an/an/a 3.00E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50337599
PNG
((E/Z)-3-(3-(4-(3-phenylpropoxy)phenyl)allylamino)p...)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C21H25NO3/c23-21(24)14-16-22-15-4-8-19-10-12-20(13-11-19)25-17-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,22H,5,9,14-17H2,(H,23,24)/b8-4+
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n/an/an/an/a 70n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347151
PNG
(CHEMBL1797500)
Show SMILES Cc1cc(\C=C\CNCCC(O)=O)ccc1OCCCCc1ccccc1
Show InChI InChI=1S/C23H29NO3/c1-19-18-21(11-7-15-24-16-14-23(25)26)12-13-22(19)27-17-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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n/an/an/an/a 280n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347153
PNG
(CHEMBL1797502)
Show SMILES COc1cc(OCCCCc2ccccc2)ccc1\C=C\CNCCC(O)=O
Show InChI InChI=1S/C23H29NO4/c1-27-22-18-21(28-17-6-5-10-19-8-3-2-4-9-19)13-12-20(22)11-7-15-24-16-14-23(25)26/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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n/an/an/an/a 230n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347154
PNG
(CHEMBL1797503)
Show SMILES Cc1cc(OCCCCc2ccccc2)ccc1\C=C\CNCCC(O)=O
Show InChI InChI=1S/C23H29NO3/c1-19-18-22(27-17-6-5-10-20-8-3-2-4-9-20)13-12-21(19)11-7-15-24-16-14-23(25)26/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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n/an/an/an/a 36n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347157
PNG
(CHEMBL1797506)
Show SMILES C\C(CNCCC(O)=O)=C/c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C23H29NO3/c1-19(18-24-15-14-23(25)26)17-21-10-12-22(13-11-21)27-16-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,10-13,17,24H,5-6,9,14-16,18H2,1H3,(H,25,26)/b19-17+
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n/an/an/an/a 10n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50337597
PNG
(CHEMBL1683047 | trans-3-(3-(4-(3-phenylpropoxy)phe...)
Show SMILES C\C(=C/CNCCC(O)=O)c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C22H27NO3/c1-18(13-15-23-16-14-22(24)25)20-9-11-21(12-10-20)26-17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-13,23H,5,8,14-17H2,1H3,(H,24,25)/b18-13+
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n/an/an/an/a 21n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels


Bioorg Med Chem Lett 21: 1390-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.029
BindingDB Entry DOI: 10.7270/Q26973VP
More data for this
Ligand-Target Pair