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PubMed code 21147533

Compile data set for download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417722
PNG
(CHEMBL1644207)
Show SMILES COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C(F)(F)C(O)=O
Show InChI InChI=1S/C21H17Cl2F2N3O3/c1-31-20-27-17(13-3-2-4-14(9-13)21(24,25)19(29)30)11-18(28-20)26-8-7-12-5-6-15(22)10-16(12)23/h2-6,9-11H,7-8H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 0.0200n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417777
PNG
(CHEMBL1644214)
Show SMILES COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C1(CCOCC1)C(O)=O
Show InChI InChI=1S/C25H25Cl2N3O4/c1-33-24-29-21(15-22(30-24)28-10-7-16-5-6-19(26)14-20(16)27)17-3-2-4-18(13-17)25(23(31)32)8-11-34-12-9-25/h2-6,13-15H,7-12H2,1H3,(H,31,32)(H,28,29,30)
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n/an/a 0.0501n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417721
PNG
(CHEMBL1644206)
Show SMILES COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C(F)(F)c1nnn[nH]1
Show InChI InChI=1S/C21H17Cl2F2N7O/c1-33-20-27-17(11-18(28-20)26-8-7-12-5-6-15(22)10-16(12)23)13-3-2-4-14(9-13)21(24,25)19-29-31-32-30-19/h2-6,9-11H,7-8H2,1H3,(H,26,27,28)(H,29,30,31,32)
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n/an/a 0.100n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417759
PNG
(CHEMBL1644213)
Show SMILES COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H17Cl2N3O3/c1-28-20-24-17(13-3-2-4-14(9-13)19(26)27)11-18(25-20)23-8-7-12-5-6-15(21)10-16(12)22/h2-6,9-11H,7-8H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 0.302n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417747
PNG
(CHEMBL1644245)
Show SMILES COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C(C)(C)C(O)=O
Show InChI InChI=1S/C23H23Cl2N3O3/c1-23(2,21(29)30)16-6-4-5-15(11-16)19-13-20(28-22(27-19)31-3)26-10-9-14-7-8-17(24)12-18(14)25/h4-8,11-13H,9-10H2,1-3H3,(H,29,30)(H,26,27,28)
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n/an/a 0.302n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417764
PNG
(CHEMBL1644227)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C21H21N7O2/c1-29-17-8-6-14(7-9-17)10-11-22-19-13-18(23-21(24-19)30-2)15-4-3-5-16(12-15)20-25-27-28-26-20/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,24)(H,25,26,27,28)
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n/an/a 0.398n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417725
PNG
(CHEMBL1644211)
Show SMILES COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C(C)(C)c1nnn[nH]1
Show InChI InChI=1S/C23H23Cl2N7O/c1-23(2,21-29-31-32-30-21)16-6-4-5-15(11-16)19-13-20(28-22(27-19)33-3)26-10-9-14-7-8-17(24)12-18(14)25/h4-8,11-13H,9-10H2,1-3H3,(H,26,27,28)(H,29,30,31,32)
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n/an/a 0.398n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417771
PNG
(CHEMBL1644247)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(F)c(c2)C(O)=O)cc1
Show InChI InChI=1S/C21H20FN3O4/c1-28-15-6-3-13(4-7-15)9-10-23-19-12-18(24-21(25-19)29-2)14-5-8-17(22)16(11-14)20(26)27/h3-8,11-12H,9-10H2,1-2H3,(H,26,27)(H,23,24,25)
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n/an/a 0.398n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417773
PNG
(CHEMBL1644253)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(OC)c(c2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C22H23N7O3/c1-30-16-7-4-14(5-8-16)10-11-23-20-13-18(24-22(25-20)32-3)15-6-9-19(31-2)17(12-15)21-26-28-29-27-21/h4-9,12-13H,10-11H2,1-3H3,(H,23,24,25)(H,26,27,28,29)
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n/an/a 0.501n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417726
PNG
(CHEMBL1644212)
Show SMILES COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C1(CCCC1)C(O)=O
Show InChI InChI=1S/C25H25Cl2N3O3/c1-33-24-29-21(15-22(30-24)28-12-9-16-7-8-19(26)14-20(16)27)17-5-4-6-18(13-17)25(23(31)32)10-2-3-11-25/h4-8,13-15H,2-3,9-12H2,1H3,(H,31,32)(H,28,29,30)
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n/an/a 0.501n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417723
PNG
(CHEMBL1644208)
Show SMILES COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cc(ccc1F)C(C)(C)C(O)=O
Show InChI InChI=1S/C23H22Cl2FN3O3/c1-23(2,21(30)31)14-5-7-18(26)16(10-14)19-12-20(29-22(28-19)32-3)27-9-8-13-4-6-15(24)11-17(13)25/h4-7,10-12H,8-9H2,1-3H3,(H,30,31)(H,27,28,29)
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n/an/a 0.501n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417728
PNG
(CHEMBL1644217)
Show SMILES COc1nc(NCCc2ccc(F)cc2F)cc(n1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H17F2N3O3/c1-28-20-24-17(13-3-2-4-14(9-13)19(26)27)11-18(25-20)23-8-7-12-5-6-15(21)10-16(12)22/h2-6,9-11H,7-8H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 0.794n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417763
PNG
(CHEMBL1644224)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C21H20N4O2/c1-26-18-8-6-15(7-9-18)10-11-23-20-13-19(24-21(25-20)27-2)17-5-3-4-16(12-17)14-22/h3-9,12-13H,10-11H2,1-2H3,(H,23,24,25)
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n/an/a 0.891n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417754
PNG
(CHEMBL1644255)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(cc2)C(N)=O)cc1
Show InChI InChI=1S/C21H22N4O3/c1-27-17-9-3-14(4-10-17)11-12-23-19-13-18(24-21(25-19)28-2)15-5-7-16(8-6-15)20(22)26/h3-10,13H,11-12H2,1-2H3,(H2,22,26)(H,23,24,25)
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n/an/a 2.29n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417778
PNG
(CHEMBL1644260)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(s2)-c2cnco2)cc1
Show InChI InChI=1S/C21H20N4O3S/c1-26-15-5-3-14(4-6-15)9-10-23-20-11-16(24-21(25-20)27-2)18-7-8-19(29-18)17-12-22-13-28-17/h3-8,11-13H,9-10H2,1-2H3,(H,23,24,25)
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Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417774
PNG
(CHEMBL1644256)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)-c2cnco2)cc1
Show InChI InChI=1S/C23H22N4O3/c1-28-19-8-6-16(7-9-19)10-11-25-22-13-20(26-23(27-22)29-2)17-4-3-5-18(12-17)21-14-24-15-30-21/h3-9,12-15H,10-11H2,1-2H3,(H,25,26,27)
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n/an/a 2.57n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417767
PNG
(CHEMBL1644235)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)-c2nc(C)no2)cc1
Show InChI InChI=1S/C23H23N5O3/c1-15-25-22(31-28-15)18-6-4-5-17(13-18)20-14-21(27-23(26-20)30-3)24-12-11-16-7-9-19(29-2)10-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,24,26,27)
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Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417719
PNG
(CHEMBL1644204)
Show SMILES COCc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C(C)(C)C(O)=O
Show InChI InChI=1S/C24H25Cl2N3O3/c1-24(2,23(30)31)17-6-4-5-16(11-17)20-13-21(29-22(28-20)14-32-3)27-10-9-15-7-8-18(25)12-19(15)26/h4-8,11-13H,9-10,14H2,1-3H3,(H,30,31)(H,27,28,29)
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n/an/a 2.69n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417768
PNG
(CHEMBL1644238)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C20H22N4O4S/c1-27-16-8-6-14(7-9-16)10-11-22-19-13-18(23-20(24-19)28-2)15-4-3-5-17(12-15)29(21,25)26/h3-9,12-13H,10-11H2,1-2H3,(H2,21,25,26)(H,22,23,24)
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n/an/a 2.88n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417760
PNG
(CHEMBL1644216)
Show SMILES COc1nc(NCCc2c(F)cccc2Cl)cc(n1)-c1cccc(C=O)c1
Show InChI InChI=1S/C20H17ClFN3O2/c1-27-20-24-18(14-5-2-4-13(10-14)12-26)11-19(25-20)23-9-8-15-16(21)6-3-7-17(15)22/h2-7,10-12H,8-9H2,1H3,(H,23,24,25)
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n/an/a 3.63n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417744
PNG
(CHEMBL1644240)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(s2)C(C)=O)cc1
Show InChI InChI=1S/C20H21N3O3S/c1-13(24)17-8-9-18(27-17)16-12-19(23-20(22-16)26-3)21-11-10-14-4-6-15(25-2)7-5-14/h4-9,12H,10-11H2,1-3H3,(H,21,22,23)
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n/an/a 3.80n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417749
PNG
(CHEMBL1644248)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(F)c(CN=O)c2)cc1
Show InChI InChI=1S/C21H21FN4O3/c1-28-17-6-3-14(4-7-17)9-10-23-20-12-19(25-21(26-20)29-2)15-5-8-18(22)16(11-15)13-24-27/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,25,26)
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n/an/a 4.47n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417766
PNG
(CHEMBL1644232)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)C(C)=O)cc1
Show InChI InChI=1S/C22H23N3O3/c1-15(26)17-5-4-6-18(13-17)20-14-21(25-22(24-20)28-3)23-12-11-16-7-9-19(27-2)10-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,23,24,25)
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n/an/a 5.01n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417758
PNG
(CHEMBL1644210)
Show SMILES COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)N1CCCC(C1)c1nnn[nH]1
Show InChI InChI=1S/C19H22Cl2N8O/c1-30-19-23-16(22-7-6-12-4-5-14(20)9-15(12)21)10-17(24-19)29-8-2-3-13(11-29)18-25-27-28-26-18/h4-5,9-10,13H,2-3,6-8,11H2,1H3,(H,22,23,24)(H,25,26,27,28)
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n/an/a 5.01n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417776
PNG
(CHEMBL1644261)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cc3ccccc3s2)cc1
Show InChI InChI=1S/C22H21N3O2S/c1-26-17-9-7-15(8-10-17)11-12-23-21-14-18(24-22(25-21)27-2)20-13-16-5-3-4-6-19(16)28-20/h3-10,13-14H,11-12H2,1-2H3,(H,23,24,25)
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n/an/a 5.13n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417739
PNG
(CHEMBL1644233)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)-c2cc(C)no2)cc1
Show InChI InChI=1S/C24H24N4O3/c1-16-13-22(31-28-16)19-6-4-5-18(14-19)21-15-23(27-24(26-21)30-3)25-12-11-17-7-9-20(29-2)10-8-17/h4-10,13-15H,11-12H2,1-3H3,(H,25,26,27)
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n/an/a 6.03n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417733
PNG
(CHEMBL1644225)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(CC#N)c2)cc1
Show InChI InChI=1S/C22H22N4O2/c1-27-19-8-6-16(7-9-19)11-13-24-21-15-20(25-22(26-21)28-2)18-5-3-4-17(14-18)10-12-23/h3-9,14-15H,10-11,13H2,1-2H3,(H,24,25,26)
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n/an/a 6.03n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417753
PNG
(CHEMBL1644254)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C22H23N3O3/c1-15(26)17-6-8-18(9-7-17)20-14-21(25-22(24-20)28-3)23-13-12-16-4-10-19(27-2)11-5-16/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)
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n/an/a 6.31n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417724
PNG
(CHEMBL1644209)
Show SMILES COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C19H22Cl2N4O3/c1-28-19-23-16(22-7-4-12-2-3-14(20)10-15(12)21)11-17(24-19)25-8-5-13(6-9-25)18(26)27/h2-3,10-11,13H,4-9H2,1H3,(H,26,27)(H,22,23,24)
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n/an/a 7.08n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417752
PNG
(CHEMBL1644252)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc3[nH]c(=O)oc3c2)cc1
Show InChI InChI=1S/C21H20N4O4/c1-27-15-6-3-13(4-7-15)9-10-22-19-12-17(23-20(25-19)28-2)14-5-8-16-18(11-14)29-21(26)24-16/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)(H,22,23,25)
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n/an/a 7.08n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417756
PNG
(CHEMBL1644258)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C21H23N3O4S/c1-27-17-9-7-15(8-10-17)11-12-22-20-14-19(23-21(24-20)28-2)16-5-4-6-18(13-16)29(3,25)26/h4-10,13-14H,11-12H2,1-3H3,(H,22,23,24)
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n/an/a 7.24n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417734
PNG
(CHEMBL1644226)
Show SMILES CCNC(=O)Nc1cccc(c1)-c1cc(NCCc2ccc(OC)cc2)nc(OC)n1
Show InChI InChI=1S/C23H27N5O3/c1-4-24-22(29)26-18-7-5-6-17(14-18)20-15-21(28-23(27-20)31-3)25-13-12-16-8-10-19(30-2)11-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H2,24,26,29)(H,25,27,28)
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n/an/a 7.59n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417740
PNG
(CHEMBL1644234)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cnco2)cc1
Show InChI InChI=1S/C17H18N4O3/c1-22-13-5-3-12(4-6-13)7-8-19-16-9-14(15-10-18-11-24-15)20-17(21-16)23-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,21)
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n/an/a 7.76n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417737
PNG
(CHEMBL1644230)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccncc2)cc1
Show InChI InChI=1S/C19H20N4O2/c1-24-16-5-3-14(4-6-16)7-12-21-18-13-17(22-19(23-18)25-2)15-8-10-20-11-9-15/h3-6,8-11,13H,7,12H2,1-2H3,(H,21,22,23)
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n/an/a 7.94n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417743
PNG
(CHEMBL1644239)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(C)s2)cc1
Show InChI InChI=1S/C19H21N3O2S/c1-13-4-9-17(25-13)16-12-18(22-19(21-16)24-3)20-11-10-14-5-7-15(23-2)8-6-14/h4-9,12H,10-11H2,1-3H3,(H,20,21,22)
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n/an/a 8.13n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417736
PNG
(CHEMBL1644228)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccnc2)cc1
Show InChI InChI=1S/C19H20N4O2/c1-24-16-7-5-14(6-8-16)9-11-21-18-12-17(22-19(23-18)25-2)15-4-3-10-20-13-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,22,23)
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n/an/a 10n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417775
PNG
(CHEMBL1644259)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(s2)C(F)F)cc1
Show InChI InChI=1S/C19H19F2N3O2S/c1-25-13-5-3-12(4-6-13)9-10-22-17-11-14(23-19(24-17)26-2)15-7-8-16(27-15)18(20)21/h3-8,11,18H,9-10H2,1-2H3,(H,22,23,24)
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n/an/a 11.0n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417738
PNG
(CHEMBL1644231)
Show SMILES COc1ccc(CCNc2cc(OCc3ccccc3OC)nc(OC)n2)cc1
Show InChI InChI=1S/C22H25N3O4/c1-26-18-10-8-16(9-11-18)12-13-23-20-14-21(25-22(24-20)28-3)29-15-17-6-4-5-7-19(17)27-2/h4-11,14H,12-13,15H2,1-3H3,(H,23,24,25)
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n/an/a 12.0n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417755
PNG
(CHEMBL1644257)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H23N3O3/c1-26-18-6-3-15(4-7-18)9-11-23-21-14-19(24-22(25-21)27-2)16-5-8-20-17(13-16)10-12-28-20/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,25)
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n/an/a 12.9n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417772
PNG
(CHEMBL1644250)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(cc2)N2CCOCC2)cc1
Show InChI InChI=1S/C24H28N4O3/c1-29-21-9-3-18(4-10-21)11-12-25-23-17-22(26-24(27-23)30-2)19-5-7-20(8-6-19)28-13-15-31-16-14-28/h3-10,17H,11-16H2,1-2H3,(H,25,26,27)
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n/an/a 12.9n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417748
PNG
(CHEMBL1644246)
Show SMILES COC(=O)Cn1cc(ccc1=O)-c1cc(NCCc2c(F)cccc2Cl)nc(OC)n1
Show InChI InChI=1S/C21H20ClFN4O4/c1-30-20(29)12-27-11-13(6-7-19(27)28)17-10-18(26-21(25-17)31-2)24-9-8-14-15(22)4-3-5-16(14)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,25,26)
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n/an/a 14.1n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417742
PNG
(CHEMBL1644237)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccccc2O)cc1
Show InChI InChI=1S/C20H21N3O3/c1-25-15-9-7-14(8-10-15)11-12-21-19-13-17(22-20(23-19)26-2)16-5-3-4-6-18(16)24/h3-10,13,24H,11-12H2,1-2H3,(H,21,22,23)
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n/an/a 17.0n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417769
PNG
(CHEMBL1644241)
Show SMILES COc1nc(NCC2OCCc3ccccc23)cc(n1)-c1cccc(c1)C(C)(C)C(O)=O
Show InChI InChI=1S/C25H27N3O4/c1-25(2,23(29)30)18-9-6-8-17(13-18)20-14-22(28-24(27-20)31-3)26-15-21-19-10-5-4-7-16(19)11-12-32-21/h4-10,13-14,21H,11-12,15H2,1-3H3,(H,29,30)(H,26,27,28)
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n/an/a 22.9n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417735
PNG
(CHEMBL1641628)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C17H19N5O2/c1-23-14-5-3-12(4-6-14)7-8-18-16-9-15(13-10-19-20-11-13)21-17(22-16)24-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)(H,18,21,22)
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n/an/a 25.7n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417762
PNG
(CHEMBL1644222)
Show SMILES CCOC(=O)c1cc(ccc1Cl)-c1cc(NCCc2ccc(OC)cc2)nc(OC)n1
Show InChI InChI=1S/C23H24ClN3O4/c1-4-31-22(28)18-13-16(7-10-19(18)24)20-14-21(27-23(26-20)30-3)25-12-11-15-5-8-17(29-2)9-6-15/h5-10,13-14H,4,11-12H2,1-3H3,(H,25,26,27)
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n/an/a 32.4n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417727
PNG
(CHEMBL1644215)
Show SMILES COc1nc(NCC(F)(F)c2ccccc2)cc(n1)-c1cccc(c1)C(C)(C)C(O)=O
Show InChI InChI=1S/C23H23F2N3O3/c1-22(2,20(29)30)17-11-7-8-15(12-17)18-13-19(28-21(27-18)31-3)26-14-23(24,25)16-9-5-4-6-10-16/h4-13H,14H2,1-3H3,(H,29,30)(H,26,27,28)
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n/an/a 38.0n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417732
PNG
(CHEMBL1644223)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(F)c(CN)c2)cc1
Show InChI InChI=1S/C21H23FN4O2/c1-27-17-6-3-14(4-7-17)9-10-24-20-12-19(25-21(26-20)28-2)15-5-8-18(22)16(11-15)13-23/h3-8,11-12H,9-10,13,23H2,1-2H3,(H,24,25,26)
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n/an/a 40.7n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417750
PNG
(CHEMBL1644249)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C22H26N4O2/c1-26(2)18-9-7-17(8-10-18)20-15-21(25-22(24-20)28-4)23-14-13-16-5-11-19(27-3)12-6-16/h5-12,15H,13-14H2,1-4H3,(H,23,24,25)
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n/an/a 41.7n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417751
PNG
(CHEMBL1644251)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(CN3CCCC3)s2)cc1
Show InChI InChI=1S/C23H28N4O2S/c1-28-18-7-5-17(6-8-18)11-12-24-22-15-20(25-23(26-22)29-2)21-10-9-19(30-21)16-27-13-3-4-14-27/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,24,25,26)
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n/an/a 43.6n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417741
PNG
(CHEMBL1644236)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2nnc(C)o2)cc1
Show InChI InChI=1S/C17H19N5O3/c1-11-21-22-16(25-11)14-10-15(20-17(19-14)24-3)18-9-8-12-4-6-13(23-2)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
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n/an/a 55.0n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417765
PNG
(CHEMBL1644229)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc3cnccc23)cc1
Show InChI InChI=1S/C23H22N4O2/c1-28-18-8-6-16(7-9-18)10-13-25-22-14-21(26-23(27-22)29-2)20-5-3-4-17-15-24-12-11-19(17)20/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,25,26,27)
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n/an/a 64.6n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417729
PNG
(CHEMBL1644218)
Show SMILES COc1cccc(c1)-c1cc(NCCc2c[nH]c3cc(OC)ccc23)nc(OC)n1
Show InChI InChI=1S/C23H24N4O3/c1-28-17-6-4-5-15(11-17)20-13-22(27-23(26-20)30-3)24-10-9-16-14-25-21-12-18(29-2)7-8-19(16)21/h4-8,11-14,25H,9-10H2,1-3H3,(H,24,26,27)
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n/an/a 105n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417745
PNG
(CHEMBL1644242)
Show SMILES COc1nc(NCCc2ccc3OC(F)(F)Oc3c2)cc(n1)-c1cccnc1
Show InChI InChI=1S/C19H16F2N4O3/c1-26-18-24-14(13-3-2-7-22-11-13)10-17(25-18)23-8-6-12-4-5-15-16(9-12)28-19(20,21)27-15/h2-5,7,9-11H,6,8H2,1H3,(H,23,24,25)
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n/an/a 214n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417770
PNG
(CHEMBL1644244)
Show SMILES CCc1nc(NCCc2ccc(OC)cc2)cc(n1)-c1cccc(OC)c1
Show InChI InChI=1S/C22H25N3O2/c1-4-21-24-20(17-6-5-7-19(14-17)27-3)15-22(25-21)23-13-12-16-8-10-18(26-2)11-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,24,25)
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n/an/a 219n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417757
PNG
(CHEMBL1644262)
Show SMILES COc1ccc(CCNc2cc(nc(SC)n2)-c2cccc(c2)C(O)=O)cc1OC
Show InChI InChI=1S/C22H23N3O4S/c1-28-18-8-7-14(11-19(18)29-2)9-10-23-20-13-17(24-22(25-20)30-3)15-5-4-6-16(12-15)21(26)27/h4-8,11-13H,9-10H2,1-3H3,(H,26,27)(H,23,24,25)
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n/an/a 245n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417761
PNG
(CHEMBL1644219)
Show SMILES COc1cccc(c1)-c1cc(NCCc2cccnc2)nc(OC)n1
Show InChI InChI=1S/C19H20N4O2/c1-24-16-7-3-6-15(11-16)17-12-18(23-19(22-17)25-2)21-10-8-14-5-4-9-20-13-14/h3-7,9,11-13H,8,10H2,1-2H3,(H,21,22,23)
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n/an/a 245n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417730
PNG
(CHEMBL1644220)
Show SMILES COc1ccc(C[C@H](Nc2cc(nc(OC)n2)-c2cccc(OC)c2)C(O)=O)cc1
Show InChI InChI=1S/C22H23N3O5/c1-28-16-9-7-14(8-10-16)11-19(21(26)27)23-20-13-18(24-22(25-20)30-3)15-5-4-6-17(12-15)29-2/h4-10,12-13,19H,11H2,1-3H3,(H,26,27)(H,23,24,25)/t19-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417746
PNG
(CHEMBL1644243)
Show SMILES CCOc1nc(NCCc2ccc(OC)c(OC)c2)cc(n1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H29N3O5/c1-6-32-24-26-18(17-8-10-20(29-3)22(14-17)31-5)15-23(27-24)25-12-11-16-7-9-19(28-2)21(13-16)30-4/h7-10,13-15H,6,11-12H2,1-5H3,(H,25,26,27)
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n/an/a 661n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417731
PNG
(CHEMBL1644221)
Show SMILES COc1ccc(CNc2cc(nc(OC)n2)-c2cccc(OC)c2)cc1
Show InChI InChI=1S/C20H21N3O3/c1-24-16-9-7-14(8-10-16)13-21-19-12-18(22-20(23-19)26-3)15-5-4-6-17(11-15)25-2/h4-12H,13H2,1-3H3,(H,21,22,23)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417720
PNG
(CHEMBL1644205)
Show SMILES COc1cccc(c1)-c1cc(NCCCc2ccccc2)nc(OC)n1
Show InChI InChI=1S/C21H23N3O2/c1-25-18-12-6-11-17(14-18)19-15-20(24-21(23-19)26-2)22-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,14-15H,7,10,13H2,1-2H3,(H,22,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%