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PubMed code 25592707

Compile data set for download or QSAR
Found 31 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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM31592
PNG
(PF-2545920 | US9138494, MP-10 | substituted pyraz...)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
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PubMed
n/an/a 0.180n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to PDE10A (unknown origin)


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103185
PNG
(CHEMBL3393194)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4cccnc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-17-11-18(21-16-29-30-22-13-24(34-3)23(33-2)12-20(21)22)14-28-25(17)31-9-6-26(32,7-10-31)19-5-4-8-27-15-19/h4-5,8,11-16,32H,6-7,9-10H2,1-3H3
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n/an/a 1.5n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103184
PNG
(CHEMBL3393195)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4ccc(F)nc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H26FN5O3/c1-16-10-17(20-15-30-31-21-12-23(35-3)22(34-2)11-19(20)21)13-29-25(16)32-8-6-26(33,7-9-32)18-4-5-24(27)28-14-18/h4-5,10-15,33H,6-9H2,1-3H3
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n/an/a 2.90n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103183
PNG
(CHEMBL3393204)
Show SMILES Cn1c(nc2ccccc12)C(=O)c1ccc(Oc2ncccc2-c2cccnc2)cc1
Show InChI InChI=1S/C25H18N4O2/c1-29-22-9-3-2-8-21(22)28-24(29)23(30)17-10-12-19(13-11-17)31-25-20(7-5-15-27-25)18-6-4-14-26-16-18/h2-16H,1H3
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n/an/a 3.70n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103191
PNG
(CHEMBL3393199)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4cccnc4)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C25H24ClN5O3/c1-33-22-11-18-19(15-29-30-21(18)12-23(22)34-2)16-10-20(26)24(28-13-16)31-8-5-25(32,6-9-31)17-4-3-7-27-14-17/h3-4,7,10-15,32H,5-6,8-9H2,1-2H3
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n/an/a 5.5n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103187
PNG
(CHEMBL3393203)
Show SMILES COc1ccc(cc1)-c1cccnc1Oc1ccc(cc1)C(=O)c1nc2ccccc2n1C
Show InChI InChI=1S/C27H21N3O3/c1-30-24-8-4-3-7-23(24)29-26(30)25(31)19-11-15-21(16-12-19)33-27-22(6-5-17-28-27)18-9-13-20(32-2)14-10-18/h3-17H,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103193
PNG
(CHEMBL3393197)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4ccc(Cl)nc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H26ClN5O3/c1-16-10-17(20-15-30-31-21-12-23(35-3)22(34-2)11-19(20)21)13-29-25(16)32-8-6-26(33,7-9-32)18-4-5-24(27)28-14-18/h4-5,10-15,33H,6-9H2,1-3H3
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n/an/a 9.80n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103197
PNG
(CHEMBL3393190)
Show SMILES COc1cc2nncc(-c3ccc(nc3)N3CCC(O)(CC3)c3cccnc3)c2cc1OC
Show InChI InChI=1S/C25H25N5O3/c1-32-22-12-19-20(16-28-29-21(19)13-23(22)33-2)17-5-6-24(27-14-17)30-10-7-25(31,8-11-30)18-4-3-9-26-15-18/h3-6,9,12-16,31H,7-8,10-11H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103199
PNG
(CHEMBL3393188)
Show SMILES COc1cc2nncc(-c3ccc(nc3)N3CCC(C)(O)CC3)c2cc1OC
Show InChI InChI=1S/C21H24N4O3/c1-21(26)6-8-25(9-7-21)20-5-4-14(12-22-20)16-13-23-24-17-11-19(28-3)18(27-2)10-15(16)17/h4-5,10-13,26H,6-9H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103188
PNG
(CHEMBL3393202)
Show SMILES Cn1c(nc2ccccc12)C(=O)c1ccc(Oc2ncccc2-c2ccccc2)cc1
Show InChI InChI=1S/C26H19N3O2/c1-29-23-12-6-5-11-22(23)28-25(29)24(30)19-13-15-20(16-14-19)31-26-21(10-7-17-27-26)18-8-3-2-4-9-18/h2-17H,1H3
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n/an/a 19n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14754
PNG
(1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...)
Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
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n/an/a 36n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to PDE10A (unknown origin)


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103189
PNG
(CHEMBL3393201)
Show SMILES COc1cc2c(cnnc2cc1OCCCF)-c1cnc(N2CCC(O)(CC2)c2ccc(F)nc2)c(C)c1
Show InChI InChI=1S/C28H29F2N5O3/c1-18-12-19(22-17-33-34-23-14-25(38-11-3-8-29)24(37-2)13-21(22)23)15-32-27(18)35-9-6-28(36,7-10-35)20-4-5-26(30)31-16-20/h4-5,12-17,36H,3,6-11H2,1-2H3
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n/an/a 79n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103192
PNG
(CHEMBL3393198)
Show SMILES COc1cc2c(cnnc2cc1OCc1ccccc1)-c1cnc(N2CCC(O)(CC2)c2ccc(F)nc2)c(C)c1
Show InChI InChI=1S/C32H30FN5O3/c1-21-14-23(17-35-31(21)38-12-10-32(39,11-13-38)24-8-9-30(33)34-18-24)26-19-36-37-27-16-29(28(40-2)15-25(26)27)41-20-22-6-4-3-5-7-22/h3-9,14-19,39H,10-13,20H2,1-2H3
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n/an/a 350n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103190
PNG
(CHEMBL3393200)
Show SMILES COc1cc2c(cnnc2cc1OCc1ccc2ccccc2n1)-c1cnc(N2CCC(O)(CC2)c2ccc(F)nc2)c(C)c1
Show InChI InChI=1S/C35H31FN6O3/c1-22-15-24(18-38-34(22)42-13-11-35(43,12-14-42)25-8-10-33(36)37-19-25)28-20-39-41-30-17-32(31(44-2)16-27(28)30)45-21-26-9-7-23-5-3-4-6-29(23)40-26/h3-10,15-20,43H,11-14,21H2,1-2H3
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n/an/a 518n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103196
PNG
(CHEMBL3393191)
Show SMILES COc1cc2c(cnnc2cc1OCc1ccccc1)-c1ccc(nc1)N1CCC(O)(CC1)c1cccnc1
Show InChI InChI=1S/C31H29N5O3/c1-38-28-16-25-26(20-34-35-27(25)17-29(28)39-21-22-6-3-2-4-7-22)23-9-10-30(33-18-23)36-14-11-31(37,12-15-36)24-8-5-13-32-19-24/h2-10,13,16-20,37H,11-12,14-15,21H2,1H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103186
PNG
(CHEMBL3393207)
Show SMILES CC(=O)N1CCC(CC1)C(=O)c1cccnc1Oc1ccc(cc1)C(=O)c1nc2ccccc2n1C
Show InChI InChI=1S/C28H26N4O4/c1-18(33)32-16-13-20(14-17-32)25(34)22-6-5-15-29-28(22)36-21-11-9-19(10-12-21)26(35)27-30-23-7-3-4-8-24(23)31(27)2/h3-12,15,20H,13-14,16-17H2,1-2H3
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n/an/a>1.90E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM50103185
PNG
(CHEMBL3393194)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4cccnc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-17-11-18(21-16-29-30-22-13-24(34-3)23(33-2)12-20(21)22)14-28-25(17)31-9-6-26(32,7-10-31)19-5-4-8-27-15-19/h4-5,8,11-16,32H,6-7,9-10H2,1-3H3
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n/an/a 3.07E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM50103184
PNG
(CHEMBL3393195)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4ccc(F)nc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H26FN5O3/c1-16-10-17(20-15-30-31-21-12-23(35-3)22(34-2)11-19(20)21)13-29-25(16)32-8-6-26(33,7-9-32)18-4-5-24(27)28-14-18/h4-5,10-15,33H,6-9H2,1-3H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))
BDBM50103185
PNG
(CHEMBL3393194)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4cccnc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-17-11-18(21-16-29-30-22-13-24(34-3)23(33-2)12-20(21)22)14-28-25(17)31-9-6-26(32,7-10-31)19-5-4-8-27-15-19/h4-5,8,11-16,32H,6-7,9-10H2,1-3H3
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n/an/a 4.11E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3B pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103198
PNG
(CHEMBL3393189)
Show SMILES COc1cc2c(cnnc2cc1OCc1ccccc1)-c1ccc(nc1)N1CCC(C)(O)CC1
Show InChI InChI=1S/C27H28N4O3/c1-27(32)10-12-31(13-11-27)26-9-8-20(16-28-26)22-17-29-30-23-15-25(24(33-2)14-21(22)23)34-18-19-6-4-3-5-7-19/h3-9,14-17,32H,10-13,18H2,1-2H3
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n/an/a 4.25E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))
BDBM50103184
PNG
(CHEMBL3393195)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4ccc(F)nc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H26FN5O3/c1-16-10-17(20-15-30-31-21-12-23(35-3)22(34-2)11-19(20)21)13-29-25(16)32-8-6-26(33,7-9-32)18-4-5-24(27)28-14-18/h4-5,10-15,33H,6-9H2,1-3H3
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n/an/a 6.54E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3B pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103194
PNG
(CHEMBL3393193)
Show SMILES COc1cc2c(cnnc2cc1O)-c1ccc(nc1)N1CCC(O)(CC1)c1cccnc1
Show InChI InChI=1S/C24H23N5O3/c1-32-22-11-18-19(15-27-28-20(18)12-21(22)30)16-4-5-23(26-13-16)29-9-6-24(31,7-10-29)17-3-2-8-25-14-17/h2-5,8,11-15,30-31H,6-7,9-10H2,1H3
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n/an/a 6.62E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50103185
PNG
(CHEMBL3393194)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4cccnc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-17-11-18(21-16-29-30-22-13-24(34-3)23(33-2)12-20(21)22)14-28-25(17)31-9-6-26(32,7-10-31)19-5-4-8-27-15-19/h4-5,8,11-16,32H,6-7,9-10H2,1-3H3
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n/an/a 7.83E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4A pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50103185
PNG
(CHEMBL3393194)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4cccnc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-17-11-18(21-16-29-30-22-13-24(34-3)23(33-2)12-20(21)22)14-28-25(17)31-9-6-26(32,7-10-31)19-5-4-8-27-15-19/h4-5,8,11-16,32H,6-7,9-10H2,1-3H3
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n/an/a 8.73E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50103195
PNG
(CHEMBL3393192)
Show SMILES COc1cc2c(cnnc2cc1O)-c1ccc(nc1)N1CCC(C)(O)CC1
Show InChI InChI=1S/C20H22N4O3/c1-20(26)5-7-24(8-6-20)19-4-3-13(11-21-19)15-12-22-23-16-10-17(25)18(27-2)9-14(15)16/h3-4,9-12,25-26H,5-8H2,1-2H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substra...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50103184
PNG
(CHEMBL3393195)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4ccc(F)nc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H26FN5O3/c1-16-10-17(20-15-30-31-21-12-23(35-3)22(34-2)11-19(20)21)13-29-25(16)32-8-6-26(33,7-9-32)18-4-5-24(27)28-14-18/h4-5,10-15,33H,6-9H2,1-3H3
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n/an/a 2.54E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4A pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50103183
PNG
(CHEMBL3393204)
Show SMILES Cn1c(nc2ccccc12)C(=O)c1ccc(Oc2ncccc2-c2cccnc2)cc1
Show InChI InChI=1S/C25H18N4O2/c1-29-22-9-3-2-8-21(22)28-24(29)23(30)17-10-12-19(13-11-17)31-25-20(7-5-15-27-25)18-6-4-14-26-16-18/h2-16H,1H3
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n/an/a 2.59E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50103184
PNG
(CHEMBL3393195)
Show SMILES COc1cc2nncc(-c3cnc(N4CCC(O)(CC4)c4ccc(F)nc4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C26H26FN5O3/c1-16-10-17(20-15-30-31-21-12-23(35-3)22(34-2)11-19(20)21)13-29-25(16)32-8-6-26(33,7-9-32)18-4-5-24(27)28-14-18/h4-5,10-15,33H,6-9H2,1-3H3
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n/an/a 3.06E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50103183
PNG
(CHEMBL3393204)
Show SMILES Cn1c(nc2ccccc12)C(=O)c1ccc(Oc2ncccc2-c2cccnc2)cc1
Show InChI InChI=1S/C25H18N4O2/c1-29-22-9-3-2-8-21(22)28-24(29)23(30)17-10-12-19(13-11-17)31-25-20(7-5-15-27-25)18-6-4-14-26-16-18/h2-16H,1H3
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n/an/a 4.03E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4A pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM50103183
PNG
(CHEMBL3393204)
Show SMILES Cn1c(nc2ccccc12)C(=O)c1ccc(Oc2ncccc2-c2cccnc2)cc1
Show InChI InChI=1S/C25H18N4O2/c1-29-22-9-3-2-8-21(22)28-24(29)23(30)17-10-12-19(13-11-17)31-25-20(7-5-15-27-25)18-6-4-14-26-16-18/h2-16H,1H3
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n/an/a 1.67E+5n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))
BDBM50103183
PNG
(CHEMBL3393204)
Show SMILES Cn1c(nc2ccccc12)C(=O)c1ccc(Oc2ncccc2-c2cccnc2)cc1
Show InChI InChI=1S/C25H18N4O2/c1-29-22-9-3-2-8-21(22)28-24(29)23(30)17-10-12-19(13-11-17)31-25-20(7-5-15-27-25)18-6-4-14-26-16-18/h2-16H,1H3
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n/an/a 2.34E+5n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3B pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by sci...


Bioorg Med Chem Lett 25: 919-24 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.054
BindingDB Entry DOI: 10.7270/Q2H41T6N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%