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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'anthony' and Initial = 'd'   
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
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50259548
PNG
(6-(5'-chloro-2'-isobutoxy-biphenyl-2-yl)-pyridine-...)
Show SMILES CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O
Show InChI InChI=1S/C22H20ClNO3/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26/h3-12,14H,13H2,1-2H3,(H,25,26)/p-1
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50183182
PNG
(2''-benzyloxy-5''-chloro-[1,1';2',1'']terphenyl-3-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H19ClO3/c27-21-13-14-25(30-17-18-7-2-1-3-8-18)24(16-21)23-12-5-4-11-22(23)19-9-6-10-20(15-19)26(28)29/h1-16H,17H2,(H,28,29)
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31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at EP1 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50259548
PNG
(6-(5'-chloro-2'-isobutoxy-biphenyl-2-yl)-pyridine-...)
Show SMILES CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O
Show InChI InChI=1S/C22H20ClNO3/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26/h3-12,14H,13H2,1-2H3,(H,25,26)/p-1
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50259548
PNG
(6-(5'-chloro-2'-isobutoxy-biphenyl-2-yl)-pyridine-...)
Show SMILES CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O
Show InChI InChI=1S/C22H20ClNO3/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26/h3-12,14H,13H2,1-2H3,(H,25,26)/p-1
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2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at EP3 receptor by FLIPR method


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413672
PNG
(CHEMBL516324)
Show SMILES CCCC(=O)Nc1cc(cc(c1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C30H26ClNO4/c1-2-8-29(33)32-24-16-21(15-22(17-24)30(34)35)25-11-6-7-12-26(25)27-18-23(31)13-14-28(27)36-19-20-9-4-3-5-10-20/h3-7,9-18H,2,8,19H2,1H3,(H,32,33)(H,34,35)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413667
PNG
(CHEMBL514574)
Show SMILES OC(=O)c1cccc(n1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccc(F)cc1F
Show InChI InChI=1S/C25H16ClF2NO3/c26-16-9-11-24(32-14-15-8-10-17(27)13-21(15)28)20(12-16)18-4-1-2-5-19(18)22-6-3-7-23(29-22)25(30)31/h1-13H,14H2,(H,30,31)
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413670
PNG
(CHEMBL458452)
Show SMILES COCC(=O)Nc1cc(cc(c1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C29H24ClNO5/c1-35-18-28(32)31-23-14-20(13-21(15-23)29(33)34)24-9-5-6-10-25(24)26-16-22(30)11-12-27(26)36-17-19-7-3-2-4-8-19/h2-16H,17-18H2,1H3,(H,31,32)(H,33,34)
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413668
PNG
(CHEMBL457142)
Show SMILES OC(=O)c1cccc(n1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccc(F)cc1
Show InChI InChI=1S/C25H17ClFNO3/c26-17-10-13-24(31-15-16-8-11-18(27)12-9-16)21(14-17)19-4-1-2-5-20(19)22-6-3-7-23(28-22)25(29)30/h1-14H,15H2,(H,29,30)
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413673
PNG
(CHEMBL456496)
Show SMILES CCC(=O)Nc1cc(cc(c1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C29H24ClNO4/c1-2-28(32)31-23-15-20(14-21(16-23)29(33)34)24-10-6-7-11-25(24)26-17-22(30)12-13-27(26)35-18-19-8-4-3-5-9-19/h3-17H,2,18H2,1H3,(H,31,32)(H,33,34)
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n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413674
PNG
(CHEMBL456495)
Show SMILES CC(=O)Nc1cc(cc(c1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H22ClNO4/c1-18(31)30-23-14-20(13-21(15-23)28(32)33)24-9-5-6-10-25(24)26-16-22(29)11-12-27(26)34-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,30,31)(H,32,33)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413669
PNG
(CHEMBL515981)
Show SMILES OC(=O)c1cccc(n1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C25H18ClNO3/c26-18-13-14-24(30-16-17-7-2-1-3-8-17)21(15-18)19-9-4-5-10-20(19)22-11-6-12-23(27-22)25(28)29/h1-15H,16H2,(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413671
PNG
(CHEMBL458448)
Show SMILES CC(C)C(=O)Nc1cc(cc(c1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C30H26ClNO4/c1-19(2)29(33)32-24-15-21(14-22(16-24)30(34)35)25-10-6-7-11-26(25)27-17-23(31)12-13-28(27)36-18-20-8-4-3-5-9-20/h3-17,19H,18H2,1-2H3,(H,32,33)(H,34,35)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50393511
PNG
(CHEMBL2158056)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1nc(-c2cccc(c2)-[#7+](-[#8-])=O)c2ncccc2c1=O
Show InChI InChI=1S/C18H16N4O3/c1-12(2)8-10-21-18(23)15-7-4-9-19-17(15)16(20-21)13-5-3-6-14(11-13)22(24)25/h3-9,11H,10H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413663
PNG
(CHEMBL466549)
Show SMILES [O-]C(=O)c1cccc(n1)-c1ccccc1-c1cc(Cl)ccc1OCc1c(F)cc(F)cc1F
Show InChI InChI=1S/C25H15ClF3NO3/c26-14-8-9-24(33-13-19-20(28)11-15(27)12-21(19)29)18(10-14)16-4-1-2-5-17(16)22-6-3-7-23(30-22)25(31)32/h1-12H,13H2,(H,31,32)/p-1
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n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostanoid EP1 receptor


(Rattus norvegicus (Rat))
BDBM50259548
PNG
(6-(5'-chloro-2'-isobutoxy-biphenyl-2-yl)-pyridine-...)
Show SMILES CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O
Show InChI InChI=1S/C22H20ClNO3/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26/h3-12,14H,13H2,1-2H3,(H,25,26)/p-1
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n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to rat EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50259548
PNG
(6-(5'-chloro-2'-isobutoxy-biphenyl-2-yl)-pyridine-...)
Show SMILES CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O
Show InChI InChI=1S/C22H20ClNO3/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26/h3-12,14H,13H2,1-2H3,(H,25,26)/p-1
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n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50259548
PNG
(6-(5'-chloro-2'-isobutoxy-biphenyl-2-yl)-pyridine-...)
Show SMILES CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O
Show InChI InChI=1S/C22H20ClNO3/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26/h3-12,14H,13H2,1-2H3,(H,25,26)/p-1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413664
PNG
(CHEMBL467579)
Show SMILES [O-]C(=O)c1cccc(n1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccc(Cl)cc1F
Show InChI InChI=1S/C25H16Cl2FNO3/c26-16-10-11-24(32-14-15-8-9-17(27)13-21(15)28)20(12-16)18-4-1-2-5-19(18)22-6-3-7-23(29-22)25(30)31/h1-13H,14H2,(H,30,31)/p-1
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413685
PNG
(CHEMBL516787)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C26H20O3/c27-26(28)21-12-8-11-20(17-21)22-13-4-5-14-23(22)24-15-6-7-16-25(24)29-18-19-9-2-1-3-10-19/h1-17H,18H2,(H,27,28)
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413679
PNG
(CHEMBL456707)
Show SMILES OC(=O)c1ccccc1-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H19ClO3/c27-19-14-15-25(30-17-18-8-2-1-3-9-18)24(16-19)22-12-5-4-10-20(22)21-11-6-7-13-23(21)26(28)29/h1-16H,17H2,(H,28,29)
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50393510
PNG
(CHEMBL1232082)
Show SMILES [O-][N+](=O)c1cccc(c1)-n1c2ncccc2c(=O)n(Cc2ccncc2)c1=O
Show InChI InChI=1S/C19H13N5O4/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13/h1-11H,12H2
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n/an/a 22n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/a 29n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413662
PNG
(CHEMBL459537)
Show SMILES [O-]C(=O)c1cccc(n1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1F
Show InChI InChI=1S/C25H17ClFNO3/c26-17-12-13-24(31-15-16-6-1-4-9-21(16)27)20(14-17)18-7-2-3-8-19(18)22-10-5-11-23(28-22)25(29)30/h1-14H,15H2,(H,29,30)/p-1
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50183182
PNG
(2''-benzyloxy-5''-chloro-[1,1';2',1'']terphenyl-3-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H19ClO3/c27-21-13-14-25(30-17-18-7-2-1-3-8-18)24(16-21)23-12-5-4-11-22(23)19-9-6-10-20(15-19)26(28)29/h1-16H,17H2,(H,28,29)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50183182
PNG
(2''-benzyloxy-5''-chloro-[1,1';2',1'']terphenyl-3-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H19ClO3/c27-21-13-14-25(30-17-18-7-2-1-3-8-18)24(16-21)23-12-5-4-11-22(23)19-9-6-10-20(15-19)26(28)29/h1-16H,17H2,(H,28,29)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413665
PNG
(CHEMBL467578)
Show SMILES [O-]C(=O)c1cccc(n1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccc(Br)cc1F
Show InChI InChI=1S/C25H16BrClFNO3/c26-16-9-8-15(21(28)12-16)14-32-24-11-10-17(27)13-20(24)18-4-1-2-5-19(18)22-6-3-7-23(29-22)25(30)31/h1-13H,14H2,(H,30,31)/p-1
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413675
PNG
(CHEMBL514425)
Show SMILES OC(=O)c1cc(F)cc(c1)-c1ccccc1-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C26H19FO3/c27-21-15-19(14-20(16-21)26(28)29)22-10-4-5-11-23(22)24-12-6-7-13-25(24)30-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,29)
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413666
PNG
(CHEMBL512617)
Show SMILES [O-]C(=O)c1cccc(n1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccc(F)cc1Cl
Show InChI InChI=1S/C25H16Cl2FNO3/c26-16-9-11-24(32-14-15-8-10-17(28)13-21(15)27)20(12-16)18-4-1-2-5-19(18)22-6-3-7-23(29-22)25(30)31/h1-13H,14H2,(H,30,31)/p-1
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413676
PNG
(CHEMBL459091)
Show SMILES OC(=O)c1ccc(F)c(c1)-c1ccccc1-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C26H19FO3/c27-24-15-14-19(26(28)29)16-23(24)21-11-5-4-10-20(21)22-12-6-7-13-25(22)30-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,29)
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413659
PNG
(CHEMBL499155)
Show SMILES CCCCOc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O
Show InChI InChI=1S/C22H20ClNO3/c1-2-3-13-27-21-12-11-15(23)14-18(21)16-7-4-5-8-17(16)19-9-6-10-20(24-19)22(25)26/h4-12,14H,2-3,13H2,1H3,(H,25,26)/p-1
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413681
PNG
(CHEMBL458008)
Show SMILES Cc1cccc(-c2cc(Cl)ccc2OCc2ccccc2)c1-c1cccc(c1)C([O-])=O
Show InChI InChI=1S/C27H21ClO3/c1-18-7-5-12-23(26(18)20-10-6-11-21(15-20)27(29)30)24-16-22(28)13-14-25(24)31-17-19-8-3-2-4-9-19/h2-16H,17H2,1H3,(H,29,30)/p-1
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413686
PNG
(CHEMBL457797)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1ccccc1-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C26H19ClO3/c27-24-15-14-19(16-23(24)26(28)29)20-10-4-5-11-21(20)22-12-6-7-13-25(22)30-17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,29)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413661
PNG
(CHEMBL458858)
Show SMILES [O-]C(=O)c1cccc(n1)-c1ccccc1-c1cc(Cl)ccc1OCC1CCCC1
Show InChI InChI=1S/C24H22ClNO3/c25-17-12-13-23(29-15-16-6-1-2-7-16)20(14-17)18-8-3-4-9-19(18)21-10-5-11-22(26-21)24(27)28/h3-5,8-14,16H,1-2,6-7,15H2,(H,27,28)/p-1
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413660
PNG
(CHEMBL456679)
Show SMILES CCCOc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O
Show InChI InChI=1S/C21H18ClNO3/c1-2-12-26-20-11-10-14(22)13-17(20)15-6-3-4-7-16(15)18-8-5-9-19(23-18)21(24)25/h3-11,13H,2,12H2,1H3,(H,24,25)/p-1
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50108504
PNG
(4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1ccc2nonc2c1
Show InChI InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27)
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n/an/a 290n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413684
PNG
(CHEMBL460168)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1-c1ccc(Cl)cc1OCc1ccccc1
Show InChI InChI=1S/C26H19ClO3/c27-21-13-14-24(25(16-21)30-17-18-7-2-1-3-8-18)23-12-5-4-11-22(23)19-9-6-10-20(15-19)26(28)29/h1-16H,17H2,(H,28,29)
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50393509
PNG
(PYRIDOPYRIDAZINONE)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nn(Cc2ccncc2)c(=O)c2cccnc12
Show InChI InChI=1S/C19H13N5O3/c25-19-16-5-2-8-21-18(16)17(14-3-1-4-15(11-14)24(26)27)22-23(19)12-13-6-9-20-10-7-13/h1-11H,12H2
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n/an/a 340n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50393512
PNG
(CHEMBL2158057)
Show SMILES Clc1cccc(c1)-c1nn(CC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C17H14ClN3O/c18-13-4-1-3-12(9-13)15-16-14(5-2-8-19-16)17(22)21(20-15)10-11-6-7-11/h1-5,8-9,11H,6-7,10H2
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n/an/a 340n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413677
PNG
(CHEMBL515697)
Show SMILES Cc1c(cccc1-c1ccccc1-c1ccccc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H22O3/c1-19-21(15-9-16-22(19)27(28)29)23-12-5-6-13-24(23)25-14-7-8-17-26(25)30-18-20-10-3-2-4-11-20/h2-17H,18H2,1H3,(H,28,29)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50042058
PNG
((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50393518
PNG
(CHEMBL2158064)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CN(Cc2ccccc2)C(=O)C1 |r|
Show InChI InChI=1S/C23H27NO3/c1-26-21-12-11-18(13-22(21)27-20-9-5-6-10-20)19-14-23(25)24(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,11-13,19-20H,5-6,9-10,14-16H2,1H3/t19-/m1/s1
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n/an/a 730n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413678
PNG
(CHEMBL456919)
Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H19ClO3/c27-21-14-15-25(30-17-18-6-2-1-3-7-18)24(16-21)23-9-5-4-8-22(23)19-10-12-20(13-11-19)26(28)29/h1-16H,17H2,(H,28,29)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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n/an/a 830n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413683
PNG
(CHEMBL460169)
Show SMILES Cc1ccc(-c2cccc(c2)C([O-])=O)c(c1)-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C27H21ClO3/c1-18-10-12-23(20-8-5-9-21(15-20)27(29)30)24(14-18)25-16-22(28)11-13-26(25)31-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,29,30)/p-1
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n/an/a>1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50393515
PNG
(CHEMBL2158061)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C)C(=O)C1 |r|
Show InChI InChI=1S/C17H23NO3/c1-18-11-13(10-17(18)19)12-7-8-15(20-2)16(9-12)21-14-5-3-4-6-14/h7-9,13-14H,3-6,10-11H2,1-2H3/t13-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413680
PNG
(CHEMBL456706)
Show SMILES [O-]C(=O)c1cccc(c1)-c1cc(Cl)ccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H18Cl2O3/c27-20-9-11-22(23(14-20)18-7-4-8-19(13-18)26(29)30)24-15-21(28)10-12-25(24)31-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,29,30)/p-1
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n/an/a>1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50413682
PNG
(CHEMBL462294)
Show SMILES Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)c(c1)-c1cccc(c1)C([O-])=O
Show InChI InChI=1S/C27H21ClO3/c1-18-10-12-23(24(14-18)20-8-5-9-21(15-20)27(29)30)25-16-22(28)11-13-26(25)31-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,29,30)/p-1
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n/an/a>1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50240404
PNG
((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...)
Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C
Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50259548
PNG
(6-(5'-chloro-2'-isobutoxy-biphenyl-2-yl)-pyridine-...)
Show SMILES CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O
Show InChI InChI=1S/C22H20ClNO3/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26/h3-12,14H,13H2,1-2H3,(H,25,26)/p-1
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at TP receptor by FLIPR method


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50040348
PNG
(8-Amino-1,3-bis-cyclopropylmethyl-3,7-dihydro-puri...)
Show SMILES Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1
Show InChI InChI=1S/C13H17N5O2/c14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h7-8H,1-6H2,(H3,14,15,16)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
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