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PubMed code 21602043

Compile data set for download or QSAR
Found 50 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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n/an/a 2.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50334653
PNG
(5-((1H-benzo[d]imidazol-2-yl)methylthio)-2-methyl-...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3nc4ccccc4[nH]3)n2n1
Show InChI InChI=1S/C18H14N6S/c1-11-19-17-12-6-2-3-7-13(12)22-18(24(17)23-11)25-10-16-20-14-8-4-5-9-15(14)21-16/h2-9H,10H2,1H3,(H,20,21)
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n/an/a 12n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345094
PNG
(2-methyl-5-((1-methyl-1H-benzo[d]imidazol-2-yl)met...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3nc4ccccc4n3C)n2n1
Show InChI InChI=1S/C19H16N6S/c1-12-20-18-13-7-3-4-8-14(13)22-19(25(18)23-12)26-11-17-21-15-9-5-6-10-16(15)24(17)2/h3-10H,11H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345091
PNG
(5-(imidazo[1,2-a]pyridin-2-ylmethylthio)-2-methyl-...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3cn4ccccc4n3)n2n1
Show InChI InChI=1S/C18H14N6S/c1-12-19-17-14-6-2-3-7-15(14)21-18(24(17)22-12)25-11-13-10-23-9-5-4-8-16(23)20-13/h2-10H,11H2,1H3
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n/an/a 15n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50319165
PNG
(2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrid...)
Show SMILES CCCc1nc(C)c2c(C)nc3ccc(OC)nc3n12
Show InChI InChI=1S/C15H18N4O/c1-5-6-12-17-10(3)14-9(2)16-11-7-8-13(20-4)18-15(11)19(12)14/h7-8H,5-6H2,1-4H3
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n/an/a 32n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345103
PNG
(2-(9-bromo-2-methyl-[1,2,4]triazolo[1,5-c]quinazol...)
Show SMILES Cc1nc2c3cc(Br)ccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H8BrN5S/c1-7-15-11-9-6-8(13)2-3-10(9)16-12(18(11)17-7)19-5-4-14/h2-3,6H,5H2,1H3
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n/an/a 35n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345092
PNG
(5-(imidazo[1,2-a]pyrimidin-2-ylmethylthio)-2-methy...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3cn4cccnc4n3)n2n1
Show InChI InChI=1S/C17H13N7S/c1-11-19-15-13-5-2-3-6-14(13)21-17(24(15)22-11)25-10-12-9-23-8-4-7-18-16(23)20-12/h2-9H,10H2,1H3
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n/an/a 55n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14768
PNG
((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cnc4ccccc4n3)c2cc1OC |r|
Show InChI InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1
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n/an/a 64n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345086
PNG
(5-((4-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-yl)...)
Show SMILES COc1ccc(cc1)-c1cn(C)c(CSc2nc3ccccc3c3nc(C)nn23)n1
Show InChI InChI=1S/C22H20N6OS/c1-14-23-21-17-6-4-5-7-18(17)25-22(28(21)26-14)30-13-20-24-19(12-27(20)2)15-8-10-16(29-3)11-9-15/h4-12H,13H2,1-3H3
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n/an/a 65n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345093
PNG
(2-((2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3nc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H13N5OS/c1-11-19-17-12-6-2-3-7-13(12)21-18(23(17)22-11)25-10-16-20-14-8-4-5-9-15(14)24-16/h2-9H,10H2,1H3
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n/an/a 110n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345089
PNG
(6-((2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3cn4ccsc4n3)n2n1
Show InChI InChI=1S/C16H12N6S2/c1-10-17-14-12-4-2-3-5-13(12)19-16(22(14)20-10)24-9-11-8-21-6-7-23-15(21)18-11/h2-8H,9H2,1H3
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n/an/a 120n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345102
PNG
(2-(9-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazo...)
Show SMILES Cc1nc2c3cc(Cl)ccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H8ClN5S/c1-7-15-11-9-6-8(13)2-3-10(9)16-12(18(11)17-7)19-5-4-14/h2-3,6H,5H2,1H3
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n/an/a 130n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345087
PNG
(5-((4-(2-chlorophenyl)-1-methyl-1H-imidazol-2-yl)m...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3nc(cn3C)-c3ccccc3Cl)n2n1
Show InChI InChI=1S/C21H17ClN6S/c1-13-23-20-15-8-4-6-10-17(15)25-21(28(20)26-13)29-12-19-24-18(11-27(19)2)14-7-3-5-9-16(14)22/h3-11H,12H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345090
PNG
(2-methyl-5-(quinolin-2-ylmethylthio)-[1,2,4]triazo...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3ccc4ccccc4n3)n2n1
Show InChI InChI=1S/C20H15N5S/c1-13-21-19-16-7-3-5-9-18(16)23-20(25(19)24-13)26-12-15-11-10-14-6-2-4-8-17(14)22-15/h2-11H,12H2,1H3
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n/an/a 160n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345110
PNG
(2-(2,10-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-...)
Show SMILES Cc1nc2c3c(C)cccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C13H11N5S/c1-8-4-3-5-10-11(8)12-15-9(2)17-18(12)13(16-10)19-7-6-14/h3-5H,7H2,1-2H3
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n/an/a 170n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345088
PNG
(2-methyl-5-((1-methyl-4-phenyl-1H-imidazol-2-yl)me...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3nc(cn3C)-c3ccccc3)n2n1
Show InChI InChI=1S/C21H18N6S/c1-14-22-20-16-10-6-7-11-17(16)24-21(27(20)25-14)28-13-19-23-18(12-26(19)2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3
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n/an/a 190n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
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 210n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345101
PNG
(2-(9-methoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinaz...)
Show SMILES COc1ccc2nc(SCC#N)n3nc(C)nc3c2c1
Show InChI InChI=1S/C13H11N5OS/c1-8-15-12-10-7-9(19-2)3-4-11(10)16-13(18(12)17-8)20-6-5-14/h3-4,7H,6H2,1-2H3
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n/an/a 250n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345121
PNG
(2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylt...)
Show SMILES Cc1nc2c3ccccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H9N5S/c1-8-14-11-9-4-2-3-5-10(9)15-12(17(11)16-8)18-7-6-13/h2-5H,7H2,1H3
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n/an/a 310n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345112
PNG
(2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-c]quinazo...)
Show SMILES Cc1nc2c3ccc(F)cc3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H8FN5S/c1-7-15-11-9-3-2-8(13)6-10(9)16-12(18(11)17-7)19-5-4-14/h2-3,6H,5H2,1H3
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n/an/a 320n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345096
PNG
(2-methyl-5-(pyridin-4-ylmethylthio)-[1,2,4]triazol...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3ccncc3)n2n1
Show InChI InChI=1S/C16H13N5S/c1-11-18-15-13-4-2-3-5-14(13)19-16(21(15)20-11)22-10-12-6-8-17-9-7-12/h2-9H,10H2,1H3
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n/an/a 380n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345107
PNG
(2-(2-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1...)
Show SMILES Cc1nc2c3c(cccc3nc(SCC#N)n2n1)C(F)(F)F
Show InChI InChI=1S/C13H8F3N5S/c1-7-18-11-10-8(13(14,15)16)3-2-4-9(10)19-12(21(11)20-7)22-6-5-17/h2-4H,6H2,1H3
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n/an/a 450n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345109
PNG
(2-(2,9-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5...)
Show SMILES Cc1nc2c3cc(C)ccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C13H11N5S/c1-8-3-4-11-10(7-8)12-15-9(2)17-18(12)13(16-11)19-6-5-14/h3-4,7H,6H2,1-2H3
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n/an/a 460n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345113
PNG
(2-(9-fluoro-2-methyl-[1,2,4]triazolo[1,5-c]quinazo...)
Show SMILES Cc1nc2c3cc(F)ccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H8FN5S/c1-7-15-11-9-6-8(13)2-3-10(9)16-12(18(11)17-7)19-5-4-14/h2-3,6H,5H2,1H3
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n/an/a 460n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345098
PNG
(2-(8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]qu...)
Show SMILES COc1cc2nc(SCC#N)n3nc(C)nc3c2cc1OC
Show InChI InChI=1S/C14H13N5O2S/c1-8-16-13-9-6-11(20-2)12(21-3)7-10(9)17-14(19(13)18-8)22-5-4-15/h6-7H,5H2,1-3H3
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n/an/a 790n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345116
PNG
(2-(2-((hydroxyimino)methyl)-[1,2,4]triazolo[1,5-c]...)
Show SMILES O=NCc1nc2c3ccccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H8N6OS/c13-5-6-20-12-15-9-4-2-1-3-8(9)11-16-10(7-14-19)17-18(11)12/h1-4H,6-7H2
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n/an/a 960n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345095
PNG
(5-((1H-imidazol-2-yl)methylthio)-2-methyl-[1,2,4]t...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3ncc[nH]3)n2n1
Show InChI InChI=1S/C14H12N6S/c1-9-17-13-10-4-2-3-5-11(10)18-14(20(13)19-9)21-8-12-15-6-7-16-12/h2-7H,8H2,1H3,(H,15,16)
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n/an/a 990n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345106
PNG
(2-(10-bromo-2-methyl-[1,2,4]triazolo[1,5-c]quinazo...)
Show SMILES Cc1nc2c3c(Br)cccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H8BrN5S/c1-7-15-11-10-8(13)3-2-4-9(10)16-12(18(11)17-7)19-6-5-14/h2-4H,6H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345128
PNG
(5-(2-bromophenyl)-[1,2,4]triazolo[1,5-c]quinazolin...)
Show SMILES Nc1nc2c3ccccc3nc(-c3ccccc3Br)n2n1
Show InChI InChI=1S/C15H10BrN5/c16-11-7-3-1-5-9(11)13-18-12-8-4-2-6-10(12)14-19-15(17)20-21(13)14/h1-8H,(H2,17,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345108
PNG
(2-(2,8-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5...)
Show SMILES Cc1nc2c3ccc(C)cc3nc(SCC#N)n2n1
Show InChI InChI=1S/C13H11N5S/c1-8-3-4-10-11(7-8)16-13(19-6-5-14)18-12(10)15-9(2)17-18/h3-4,7H,6H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345120
PNG
(2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylt...)
Show SMILES Cc1nc2c3ccccc3nc(SCC(=O)N3CCOCC3)n2n1
Show InChI InChI=1S/C16H17N5O2S/c1-11-17-15-12-4-2-3-5-13(12)18-16(21(15)19-11)24-10-14(22)20-6-8-23-9-7-20/h2-5H,6-10H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345122
PNG
(2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylt...)
Show SMILES Cc1nc2c3ccccc3nc(SCC(N)=O)n2n1
Show InChI InChI=1S/C12H11N5OS/c1-7-14-11-8-4-2-3-5-9(8)15-12(17(11)16-7)19-6-10(13)18/h2-5H,6H2,1H3,(H2,13,18)
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n/an/a 1.30E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345118
PNG
(2-([1,2,4]triazolo[1,5-c]quinazolin-5-ylthio)aceto...)
Show SMILES N#CCSc1nc2ccccc2c2ncnn12
Show InChI InChI=1S/C11H7N5S/c12-5-6-17-11-15-9-4-2-1-3-8(9)10-13-7-14-16(10)11/h1-4,7H,6H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345111
PNG
(2-(7-fluoro-2-methyl-[1,2,4]triazolo[1,5-c]quinazo...)
Show SMILES Cc1nc2c3cccc(F)c3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H8FN5S/c1-7-15-11-8-3-2-4-9(13)10(8)16-12(18(11)17-7)19-6-5-14/h2-4H,6H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345114
PNG
(2-(10-fluoro-2-methyl-[1,2,4]triazolo[1,5-c]quinaz...)
Show SMILES Cc1nc2c3c(F)cccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H8FN5S/c1-7-15-11-10-8(13)3-2-4-9(10)16-12(18(11)17-7)19-6-5-14/h2-4H,6H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345124
PNG
(2-methyl-5-(methylthio)-[1,2,4]triazolo[1,5-c]quin...)
Show SMILES CSc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C11H10N4S/c1-7-12-10-8-5-3-4-6-9(8)13-11(16-2)15(10)14-7/h3-6H,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345104
PNG
(2-(2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,...)
Show SMILES Cc1nc2c3ccc(cc3nc(SCC#N)n2n1)C(F)(F)F
Show InChI InChI=1S/C13H8F3N5S/c1-7-18-11-9-3-2-8(13(14,15)16)6-10(9)19-12(21(11)20-7)22-5-4-17/h2-3,6H,5H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50345103
PNG
(2-(9-bromo-2-methyl-[1,2,4]triazolo[1,5-c]quinazol...)
Show SMILES Cc1nc2c3cc(Br)ccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H8BrN5S/c1-7-15-11-9-6-8(13)2-3-10(9)16-12(18(11)17-7)19-5-4-14/h2-3,6H,5H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE4d6


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345105
PNG
(2-(8-bromo-2-methyl-[1,2,4]triazolo[1,5-c]quinazol...)
Show SMILES Cc1nc2c3ccc(Br)cc3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H8BrN5S/c1-7-15-11-9-3-2-8(13)6-10(9)16-12(18(11)17-7)19-5-4-14/h2-3,6H,5H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345123
PNG
(5-(ethylthio)-2-methyl-[1,2,4]triazolo[1,5-c]quina...)
Show SMILES CCSc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C12H12N4S/c1-3-17-12-14-10-7-5-4-6-9(10)11-13-8(2)15-16(11)12/h4-7H,3H2,1-2H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345119
PNG
(4-(2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-...)
Show SMILES Cc1nc2c3ccccc3nc(SCCN3CCOCC3)n2n1
Show InChI InChI=1S/C16H19N5OS/c1-12-17-15-13-4-2-3-5-14(13)18-16(21(15)19-12)23-11-8-20-6-9-22-10-7-20/h2-5H,6-11H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345126
PNG
((2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylsul...)
Show SMILES CCOC(=O)CSc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C14H14N4O2S/c1-3-20-12(19)8-21-14-16-11-7-5-4-6-10(11)13-15-9(2)17-18(13)14/h4-7H,3,8H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345127
PNG
(5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]quin...)
Show SMILES COc1ccc(cc1OC)-c1nc2ccccc2c2nc(N)nn12
Show InChI InChI=1S/C17H15N5O2/c1-23-13-8-7-10(9-14(13)24-2)15-19-12-6-4-3-5-11(12)16-20-17(18)21-22(15)16/h3-9H,1-2H3,(H2,18,21)
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n/an/a 4.50E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50345103
PNG
(2-(9-bromo-2-methyl-[1,2,4]triazolo[1,5-c]quinazol...)
Show SMILES Cc1nc2c3cc(Br)ccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H8BrN5S/c1-7-15-11-9-6-8(13)2-3-10(9)16-12(18(11)17-7)19-5-4-14/h2-3,6H,5H2,1H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE5a


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345099
PNG
(2-(2-methyl-9-morpholino-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Cc1nc2c3cc(ccc3nc(SCC#N)n2n1)N1CCOCC1
Show InChI InChI=1S/C16H16N6OS/c1-11-18-15-13-10-12(21-5-7-23-8-6-21)2-3-14(13)19-16(22(15)20-11)24-9-4-17/h2-3,10H,5-9H2,1H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345100
PNG
(2-(2-methyl-9-phenyl-[1,2,4]triazolo[1,5-c]quinazo...)
Show SMILES Cc1nc2c3cc(ccc3nc(SCC#N)n2n1)-c1ccccc1
Show InChI InChI=1S/C18H13N5S/c1-12-20-17-15-11-14(13-5-3-2-4-6-13)7-8-16(15)21-18(23(17)22-12)24-10-9-19/h2-8,11H,10H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345117
PNG
(2-(2-(hydroxymethyl)-[1,2,4]triazolo[1,5-c]quinazo...)
Show SMILES OCc1nc2c3ccccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C12H9N5OS/c13-5-6-19-12-14-9-4-2-1-3-8(9)11-15-10(7-18)16-17(11)12/h1-4,18H,6-7H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345115
PNG
(2-(2-((methoxyimino)methyl)-[1,2,4]triazolo[1,5-c]...)
Show SMILES CO\N=C/c1nc2c3ccccc3nc(SCC#N)n2n1
Show InChI InChI=1S/C13H10N6OS/c1-20-15-8-11-17-12-9-4-2-3-5-10(9)16-13(19(12)18-11)21-7-6-14/h2-5,8H,7H2,1H3/b15-8-
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n/an/a>1.00E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345125
PNG
(2-methyl-[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-t...)
Show SMILES Cc1nc2c3ccccc3[nH]c(=S)n2n1
Show InChI InChI=1S/C10H8N4S/c1-6-11-9-7-4-2-3-5-8(7)12-10(15)14(9)13-6/h2-5H,1H3,(H,12,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50345097
PNG
(1-(3,4-dichlorophenyl)-2-(2-methyl-[1,2,4]triazolo...)
Show SMILES Cc1nc2c3ccccc3nc(SCC(=O)c3ccc(Cl)c(Cl)c3)n2n1
Show InChI InChI=1S/C18H12Cl2N4OS/c1-10-21-17-12-4-2-3-5-15(12)22-18(24(17)23-10)26-9-16(25)11-6-7-13(19)14(20)8-11/h2-8H,9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.067
BindingDB Entry DOI: 10.7270/Q24B31PT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%