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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50044328   
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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n/an/a 0.370n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM31596
PNG
(substituted pyrazole, 13)
Show SMILES FC(F)(F)Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C26H19F3N4O/c27-26(28,29)17-33-15-23(18-11-13-30-14-12-18)25(32-33)20-6-9-22(10-7-20)34-16-21-8-5-19-3-1-2-4-24(19)31-21/h1-15H,16-17H2
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n/an/a 1.40n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013146
PNG
(CHEMBL3262297)
Show SMILES Cn1c2ccccc2c2cc(CCOc3ncccc3-c3ccncc3)cnc12
Show InChI InChI=1S/C24H20N4O/c1-28-22-7-3-2-5-20(22)21-15-17(16-27-23(21)28)10-14-29-24-19(6-4-11-26-24)18-8-12-25-13-9-18/h2-9,11-13,15-16H,10,14H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013140
PNG
(CHEMBL3262293)
Show SMILES Cn1c2ccccc2c2cc(CCOc3nccnc3-c3ccncc3)cnc12
Show InChI InChI=1S/C23H19N5O/c1-28-20-5-3-2-4-18(20)19-14-16(15-27-22(19)28)8-13-29-23-21(25-11-12-26-23)17-6-9-24-10-7-17/h2-7,9-12,14-15H,8,13H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013148
PNG
(CHEMBL3262298)
Show SMILES Cn1c2ccccc2c2cc(CCOc3ncccc3-c3cncnc3)cnc12
Show InChI InChI=1S/C23H19N5O/c1-28-21-7-3-2-5-19(21)20-11-16(12-27-22(20)28)8-10-29-23-18(6-4-9-26-23)17-13-24-15-25-14-17/h2-7,9,11-15H,8,10H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013152
PNG
(CHEMBL3262303)
Show SMILES FC(F)n1c2ccccc2c2cc(CCOc3ncccc3-c3cncnc3)cnc12
Show InChI InChI=1S/C23H17F2N5O/c24-23(25)30-20-6-2-1-4-18(20)19-10-15(11-29-21(19)30)7-9-31-22-17(5-3-8-28-22)16-12-26-14-27-13-16/h1-6,8,10-14,23H,7,9H2
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n/an/a 33n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013138
PNG
(CHEMBL3262291)
Show SMILES Cn1c2ccccc2c2cc(CCOc3nccnc3-c3ccc(F)cc3)cnc12
Show InChI InChI=1S/C24H19FN4O/c1-29-21-5-3-2-4-19(21)20-14-16(15-28-23(20)29)10-13-30-24-22(26-11-12-27-24)17-6-8-18(25)9-7-17/h2-9,11-12,14-15H,10,13H2,1H3
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n/an/a 42n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013142
PNG
(CHEMBL3262294)
Show SMILES Cn1c2ccccc2c2cc(CCOc3nccnc3-c3cncnc3)cnc12
Show InChI InChI=1S/C22H18N6O/c1-28-19-5-3-2-4-17(19)18-10-15(11-27-21(18)28)6-9-29-22-20(25-7-8-26-22)16-12-23-14-24-13-16/h2-5,7-8,10-14H,6,9H2,1H3
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n/an/a 67n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013143
PNG
(CHEMBL3262295)
Show SMILES Cn1c2ccccc2c2cc(CCOc3ncccc3-c3ccc(F)cc3)cnc12
Show InChI InChI=1S/C25H20FN3O/c1-29-23-7-3-2-5-21(23)22-15-17(16-28-24(22)29)12-14-30-25-20(6-4-13-27-25)18-8-10-19(26)11-9-18/h2-11,13,15-16H,12,14H2,1H3
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n/an/a 69n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013137
PNG
(CHEMBL3262290)
Show SMILES Cn1cc(CCOc2nccnc2-c2cncnc2)c2nc3ccccc3cc12
Show InChI InChI=1S/C22H18N6O/c1-28-13-16(20-19(28)10-15-4-2-3-5-18(15)27-20)6-9-29-22-21(25-7-8-26-22)17-11-23-14-24-12-17/h2-5,7-8,10-14H,6,9H2,1H3
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n/an/a 123n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013139
PNG
(CHEMBL3262292)
Show SMILES Cn1c2ccccc2c2cc(CCOc3nccnc3-c3ccc(Cl)cc3)cnc12
Show InChI InChI=1S/C24H19ClN4O/c1-29-21-5-3-2-4-19(21)20-14-16(15-28-23(20)29)10-13-30-24-22(26-11-12-27-24)17-6-8-18(25)9-7-17/h2-9,11-12,14-15H,10,13H2,1H3
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n/an/a 188n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013145
PNG
(CHEMBL3262296)
Show SMILES Cn1c2ccccc2c2cc(CCOc3ncccc3-c3ccc(Cl)cc3)cnc12
Show InChI InChI=1S/C25H20ClN3O/c1-29-23-7-3-2-5-21(23)22-15-17(16-28-24(22)29)12-14-30-25-20(6-4-13-27-25)18-8-10-19(26)11-9-18/h2-11,13,15-16H,12,14H2,1H3
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n/an/a 592n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013151
PNG
(CHEMBL3262302)
Show SMILES Cn1c2ccccc2c2cc(cnc12)C1(COc2ncccc2-c2cncnc2)CC1
Show InChI InChI=1S/C25H21N5O/c1-30-22-7-3-2-5-20(22)21-11-18(14-29-23(21)30)25(8-9-25)15-31-24-19(6-4-10-28-24)17-12-26-16-27-13-17/h2-7,10-14,16H,8-9,15H2,1H3
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n/an/a 971n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013150
PNG
(CHEMBL3262300)
Show SMILES Cn1c2ccccc2c2cc(CCCOc3ncccc3-c3cncnc3)cnc12
Show InChI InChI=1S/C24H21N5O/c1-29-22-9-3-2-7-20(22)21-12-17(13-28-23(21)29)6-5-11-30-24-19(8-4-10-27-24)18-14-25-16-26-15-18/h2-4,7-10,12-16H,5-6,11H2,1H3
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n/an/a 3.22E+3n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50013149
PNG
(CHEMBL3262299)
Show SMILES Cn1c2ccccc2c2cc(CCCOc3ncccc3-c3cccnc3F)cnc12
Show InChI InChI=1S/C25H21FN4O/c1-30-22-11-3-2-8-18(22)21-15-17(16-29-24(21)30)7-6-14-31-25-20(10-5-13-28-25)19-9-4-12-27-23(19)26/h2-5,8-13,15-16H,6-7,14H2,1H3
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n/an/a 5.94E+3n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair