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3 similar compounds to monomer 50347153

Compile data set for download or QSAR
Wt: 353.4
BDBM50347149
Wt: 367.4
BDBM50347150
Wt: 367.4
BDBM50347151

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50347149,50347150,50347151   
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 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))
BDBM50347150
PNG
(CHEMBL1797499)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C23H29NO3/c25-23(26)16-18-24-17-7-11-21-12-14-22(15-13-21)27-19-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,7-9,11-15,24H,2,5-6,10,16-19H2,(H,25,26)/b11-7+
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n/an/an/an/a 6.70E+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))
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))
BDBM50347150
PNG
(CHEMBL1797499)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C23H29NO3/c25-23(26)16-18-24-17-7-11-21-12-14-22(15-13-21)27-19-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,7-9,11-15,24H,2,5-6,10,16-19H2,(H,25,26)/b11-7+
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n/an/an/an/a 150n/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 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+
NCI pathway
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PubMed
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