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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 50334653   
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))
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))
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)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(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
Dual specificity 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
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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(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