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15 molecules are shown

Compile data set for download or QSAR
Wt: 346.4
BDBM50334653
Wt: 357.4
BDBM50345090
Wt: 346.4
BDBM50345091
Purchase
Wt: 360.4
BDBM50345094
Wt: 296.3
BDBM50345095
Wt: 307.3
BDBM50345096
Purchase
Wt: 289.7
BDBM50345102
Wt: 269.3
BDBM50345108
Wt: 269.3
BDBM50345109
Wt: 273.2
BDBM50345113
Wt: 271.2
BDBM50345117
Wt: 255.2
BDBM50345121
Purchase
Wt: 273.3
BDBM50345122
Wt: 244.3
BDBM50345123
Purchase
Wt: 230.2
BDBM50345124
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50334653,50345090,50345091,50345094,50345095,50345096,50345102,50345108,50345109,50345113,50345117,50345121,50345122,50345123,50345124   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cGMP-specific 3',5'-cyclic phosphodiesterase


(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 1.00E+4n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of PDE5A


Bioorg Med Chem 19: 642-9 (2011)


Article DOI: 10.1016/j.bmc.2010.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R73
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
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(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 1.00E+4n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of PDE1B


Bioorg Med Chem 19: 642-9 (2011)


Article DOI: 10.1016/j.bmc.2010.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R73
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(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 1.00E+4n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of PDE3A


Bioorg Med Chem 19: 642-9 (2011)


Article DOI: 10.1016/j.bmc.2010.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R73
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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 1.00E+4n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of PDE4D6


Bioorg Med Chem 19: 642-9 (2011)


Article DOI: 10.1016/j.bmc.2010.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R73
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(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 1.00E+4n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of PDE7B


Bioorg Med Chem 19: 642-9 (2011)


Article DOI: 10.1016/j.bmc.2010.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R73
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A expressed in Sf9 cells using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem 19: 642-9 (2011)


Article DOI: 10.1016/j.bmc.2010.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R73
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)