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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50034453   
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))
BDBM50362726
PNG
(CHEMBL1939796)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCC(CN)CC3)c2c1
Show InChI InChI=1S/C19H25N5O/c1-11-8-14(25-3)9-15-17(11)21-19-16(12(2)22-23-19)18(15)24-6-4-13(10-20)5-7-24/h8-9,13H,4-7,10,20H2,1-3H3,(H,21,22,23)
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362722
PNG
(CHEMBL1939800)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NCc3ccncc3)c2c1
Show InChI InChI=1S/C19H19N5O/c1-11-8-14(25-3)9-15-17(11)22-19-16(12(2)23-24-19)18(15)21-10-13-4-6-20-7-5-13/h4-9H,10H2,1-3H3,(H2,21,22,23,24)
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362728
PNG
(CHEMBL1939794)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCC(N)CC3)c2c1
Show InChI InChI=1S/C18H23N5O/c1-10-8-13(24-3)9-14-16(10)20-18-15(11(2)21-22-18)17(14)23-6-4-12(19)5-7-23/h8-9,12H,4-7,19H2,1-3H3,(H,20,21,22)
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362725
PNG
(CHEMBL1939797)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCC(CC3)C(N)=O)c2c1
Show InChI InChI=1S/C19H23N5O2/c1-10-8-13(26-3)9-14-16(10)21-19-15(11(2)22-23-19)17(14)24-6-4-12(5-7-24)18(20)25/h8-9,12H,4-7H2,1-3H3,(H2,20,25)(H,21,22,23)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362711
PNG
(CHEMBL1939812)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(OC3CCOCC3)c2c1
Show InChI InChI=1S/C18H21N3O3/c1-10-8-13(22-3)9-14-16(10)19-18-15(11(2)20-21-18)17(14)24-12-4-6-23-7-5-12/h8-9,12H,4-7H2,1-3H3,(H,19,20,21)
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3.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362730
PNG
(CHEMBL1939792)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCN([C@@H](C)C3)C(N)=O)c2c1 |r|
Show InChI InChI=1S/C19H24N6O2/c1-10-7-13(27-4)8-14-16(10)21-18-15(12(3)22-23-18)17(14)24-5-6-25(19(20)26)11(2)9-24/h7-8,11H,5-6,9H2,1-4H3,(H2,20,26)(H,21,22,23)/t11-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362733
PNG
(CHEMBL1939789)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCCOCC3)c2c1
Show InChI InChI=1S/C18H22N4O2/c1-11-9-13(23-3)10-14-16(11)19-18-15(12(2)20-21-18)17(14)22-5-4-7-24-8-6-22/h9-10H,4-8H2,1-3H3,(H,19,20,21)
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3.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362716
PNG
(CHEMBL1939807)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NCC3CNCCO3)c2c1
Show InChI InChI=1S/C18H23N5O2/c1-10-6-12(24-3)7-14-16(10)21-18-15(11(2)22-23-18)17(14)20-9-13-8-19-4-5-25-13/h6-7,13,19H,4-5,8-9H2,1-3H3,(H2,20,21,22,23)
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5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362721
PNG
(CHEMBL1939801)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NCc3ccccn3)c2c1
Show InChI InChI=1S/C19H19N5O/c1-11-8-14(25-3)9-15-17(11)22-19-16(12(2)23-24-19)18(15)21-10-13-6-4-5-7-20-13/h4-9H,10H2,1-3H3,(H2,21,22,23,24)
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6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362729
PNG
(CHEMBL1939793)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCOC(CO)C3)c2c1
Show InChI InChI=1S/C18H22N4O3/c1-10-6-12(24-3)7-14-16(10)19-18-15(11(2)20-21-18)17(14)22-4-5-25-13(8-22)9-23/h6-7,13,23H,4-5,8-9H2,1-3H3,(H,19,20,21)
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9.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362709
PNG
(CHEMBL1939782)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362710
PNG
(CHEMBL1939803)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NC3CCOCC3)c2c1
Show InChI InChI=1S/C18H22N4O2/c1-10-8-13(23-3)9-14-16(10)20-18-15(11(2)21-22-18)17(14)19-12-4-6-24-7-5-12/h8-9,12H,4-7H2,1-3H3,(H2,19,20,21,22)
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362727
PNG
(CHEMBL1939795)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCC(O)CC3)c2c1
Show InChI InChI=1S/C18H22N4O2/c1-10-8-13(24-3)9-14-16(10)19-18-15(11(2)20-21-18)17(14)22-6-4-12(23)5-7-22/h8-9,12,23H,4-7H2,1-3H3,(H,19,20,21)
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14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362731
PNG
(CHEMBL1939791)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCCNCC3)c2c1
Show InChI InChI=1S/C18H23N5O/c1-11-9-13(24-3)10-14-16(11)20-18-15(12(2)21-22-18)17(14)23-7-4-5-19-6-8-23/h9-10,19H,4-8H2,1-3H3,(H,20,21,22)
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362713
PNG
(CHEMBL1939810)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NCC3CCNCC3)c2c1
Show InChI InChI=1S/C19H25N5O/c1-11-8-14(25-3)9-15-17(11)22-19-16(12(2)23-24-19)18(15)21-10-13-4-6-20-7-5-13/h8-9,13,20H,4-7,10H2,1-3H3,(H2,21,22,23,24)
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362734
PNG
(CHEMBL1939788)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCOCC3)c2c1
Show InChI InChI=1S/C17H20N4O2/c1-10-8-12(22-3)9-13-15(10)18-17-14(11(2)19-20-17)16(13)21-4-6-23-7-5-21/h8-9H,4-7H2,1-3H3,(H,18,19,20)
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23n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362724
PNG
(CHEMBL1939798)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCC(CC3)NC(N)=O)c2c1
Show InChI InChI=1S/C19H24N6O2/c1-10-8-13(27-3)9-14-16(10)22-18-15(11(2)23-24-18)17(14)25-6-4-12(5-7-25)21-19(20)26/h8-9,12H,4-7H2,1-3H3,(H3,20,21,26)(H,22,23,24)
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27n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362723
PNG
(CHEMBL1939799)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCCC(CO)C3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-11-7-14(25-3)8-15-17(11)20-19-16(12(2)21-22-19)18(15)23-6-4-5-13(9-23)10-24/h7-8,13,24H,4-6,9-10H2,1-3H3,(H,20,21,22)
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29n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362737
PNG
(CHEMBL1939785)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(N3CCNCC3)c12
Show InChI InChI=1S/C16H18ClN5/c1-9-7-11(17)8-12-14(9)19-16-13(10(2)20-21-16)15(12)22-5-3-18-4-6-22/h7-8,18H,3-6H2,1-2H3,(H,19,20,21)
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35n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362712
PNG
(CHEMBL1939811)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N(C)C3CCOCC3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-11-9-14(24-4)10-15-17(11)20-19-16(12(2)21-22-19)18(15)23(3)13-5-7-25-8-6-13/h9-10,13H,5-8H2,1-4H3,(H,20,21,22)
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41n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362719
PNG
(CHEMBL1939804)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NCC3CCOCC3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-11-8-14(24-3)9-15-17(11)21-19-16(12(2)22-23-19)18(15)20-10-13-4-6-25-7-5-13/h8-9,13H,4-7,10H2,1-3H3,(H2,20,21,22,23)
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52n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362714
PNG
(CHEMBL1939809)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NC3CCNCC3)c2c1
Show InChI InChI=1S/C18H23N5O/c1-10-8-13(24-3)9-14-16(10)21-18-15(11(2)22-23-18)17(14)20-12-4-6-19-7-5-12/h8-9,12,19H,4-7H2,1-3H3,(H2,20,21,22,23)
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55n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362720
PNG
(CHEMBL1939802)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NCCc3ccncc3)c2c1
Show InChI InChI=1S/C20H21N5O/c1-12-10-15(26-3)11-16-18(12)23-20-17(13(2)24-25-20)19(16)22-9-6-14-4-7-21-8-5-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,22,23,24,25)
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70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362717
PNG
(CHEMBL1939806)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NCC3CCCCO3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-11-8-14(24-3)9-15-17(11)21-19-16(12(2)22-23-19)18(15)20-10-13-6-4-5-7-25-13/h8-9,13H,4-7,10H2,1-3H3,(H2,20,21,22,23)
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130n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362732
PNG
(CHEMBL1939790)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCSCC3)c2c1
Show InChI InChI=1S/C17H20N4OS/c1-10-8-12(22-3)9-13-15(10)18-17-14(11(2)19-20-17)16(13)21-4-6-23-7-5-21/h8-9H,4-7H2,1-3H3,(H,18,19,20)
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196n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362715
PNG
(CHEMBL1939808)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NCC3CN(C)CCO3)c2c1
Show InChI InChI=1S/C19H25N5O2/c1-11-7-13(25-4)8-15-17(11)21-19-16(12(2)22-23-19)18(15)20-9-14-10-24(3)5-6-26-14/h7-8,14H,5-6,9-10H2,1-4H3,(H2,20,21,22,23)
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280n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362735
PNG
(CHEMBL1939787)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCCCC3)c2c1
Show InChI InChI=1S/C18H22N4O/c1-11-9-13(23-3)10-14-16(11)19-18-15(12(2)20-21-18)17(14)22-7-5-4-6-8-22/h9-10H,4-8H2,1-3H3,(H,19,20,21)
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363n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362718
PNG
(CHEMBL1939805)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NCCC3CCOCC3)c2c1
Show InChI InChI=1S/C20H26N4O2/c1-12-10-15(25-3)11-16-18(12)22-20-17(13(2)23-24-20)19(16)21-7-4-14-5-8-26-9-6-14/h10-11,14H,4-9H2,1-3H3,(H2,21,22,23,24)
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409n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362736
PNG
(CHEMBL1939786)
Show SMILES Cc1n[nH]c2nc3ccc(Cl)cc3c(N3CCNCC3)c12
Show InChI InChI=1S/C15H16ClN5/c1-9-13-14(21-6-4-17-5-7-21)11-8-10(16)2-3-12(11)18-15(13)20-19-9/h2-3,8,17H,4-7H2,1H3,(H,18,19,20)
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419n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362738
PNG
(CHEMBL1939784)
Show SMILES Cc1n[nH]c2nc3ccccc3c(N3CCNCC3)c12
Show InChI InChI=1S/C15H17N5/c1-10-13-14(20-8-6-16-7-9-20)11-4-2-3-5-12(11)17-15(13)19-18-10/h2-5,16H,6-9H2,1H3,(H,17,18,19)
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550n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362739
PNG
(CHEMBL1939783)
Show SMILES COc1ccc2nc3[nH]nc(C)c3c(N3CCNCC3)c2c1
Show InChI InChI=1S/C16H19N5O/c1-10-14-15(21-7-5-17-6-8-21)12-9-11(22-2)3-4-13(12)18-16(14)20-19-10/h3-4,9,17H,5-8H2,1-2H3,(H,18,19,20)
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585n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50362710
PNG
(CHEMBL1939803)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NC3CCOCC3)c2c1
Show InChI InChI=1S/C18H22N4O2/c1-10-8-13(23-3)9-14-16(10)20-18-15(11(2)21-22-18)17(14)19-12-4-6-24-7-5-12/h8-9,12H,4-7H2,1-3H3,(H2,19,20,21,22)
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1.73E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE5A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50362709
PNG
(CHEMBL1939782)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE5A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50362709
PNG
(CHEMBL1939782)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)
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n/an/a 320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CK1delta


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362709
PNG
(CHEMBL1939782)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCNCC3)c2c1
Show InChI InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)
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n/an/a 858n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)