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BDBM50357820 CHEMBL1915910

SMILES: COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1

InChI Key: InChIKey=OYQMVYLFCJQBFJ-UHFFFAOYSA-N

Data: 11 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50357820   
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))
BDBM50357820
PNG
(CHEMBL1915910)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1 |(6.95,-22.59,;8.28,-23.36,;9.62,-22.59,;9.62,-21.05,;10.95,-20.28,;12.28,-21.04,;13.62,-20.25,;14.97,-21.03,;16.3,-20.25,;14.98,-22.58,;16.13,-23.63,;17.64,-23.31,;15.5,-25.05,;13.95,-24.89,;13.06,-26.14,;13.54,-27.6,;15.01,-28.07,;12.31,-28.52,;11.05,-27.62,;9.59,-28.11,;11.52,-26.15,;10.6,-24.92,;13.63,-23.36,;12.29,-22.59,;10.95,-23.36,)|
Show InChI InChI=1S/C18H20N6O/c1-9-15(12(4)23(5)22-9)18-20-11(3)16-10(2)19-13-7-8-14(25-6)21-17(13)24(16)18/h7-8H,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE5A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50357820
PNG
(CHEMBL1915910)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1 |(6.95,-22.59,;8.28,-23.36,;9.62,-22.59,;9.62,-21.05,;10.95,-20.28,;12.28,-21.04,;13.62,-20.25,;14.97,-21.03,;16.3,-20.25,;14.98,-22.58,;16.13,-23.63,;17.64,-23.31,;15.5,-25.05,;13.95,-24.89,;13.06,-26.14,;13.54,-27.6,;15.01,-28.07,;12.31,-28.52,;11.05,-27.62,;9.59,-28.11,;11.52,-26.15,;10.6,-24.92,;13.63,-23.36,;12.29,-22.59,;10.95,-23.36,)|
Show InChI InChI=1S/C18H20N6O/c1-9-15(12(4)23(5)22-9)18-20-11(3)16-10(2)19-13-7-8-14(25-6)21-17(13)24(16)18/h7-8H,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE11A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357820
PNG
(CHEMBL1915910)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1 |(6.95,-22.59,;8.28,-23.36,;9.62,-22.59,;9.62,-21.05,;10.95,-20.28,;12.28,-21.04,;13.62,-20.25,;14.97,-21.03,;16.3,-20.25,;14.98,-22.58,;16.13,-23.63,;17.64,-23.31,;15.5,-25.05,;13.95,-24.89,;13.06,-26.14,;13.54,-27.6,;15.01,-28.07,;12.31,-28.52,;11.05,-27.62,;9.59,-28.11,;11.52,-26.15,;10.6,-24.92,;13.63,-23.36,;12.29,-22.59,;10.95,-23.36,)|
Show InChI InChI=1S/C18H20N6O/c1-9-15(12(4)23(5)22-9)18-20-11(3)16-10(2)19-13-7-8-14(25-6)21-17(13)24(16)18/h7-8H,1-6H3
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n/an/a 6.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50357820
PNG
(CHEMBL1915910)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1 |(6.95,-22.59,;8.28,-23.36,;9.62,-22.59,;9.62,-21.05,;10.95,-20.28,;12.28,-21.04,;13.62,-20.25,;14.97,-21.03,;16.3,-20.25,;14.98,-22.58,;16.13,-23.63,;17.64,-23.31,;15.5,-25.05,;13.95,-24.89,;13.06,-26.14,;13.54,-27.6,;15.01,-28.07,;12.31,-28.52,;11.05,-27.62,;9.59,-28.11,;11.52,-26.15,;10.6,-24.92,;13.63,-23.36,;12.29,-22.59,;10.95,-23.36,)|
Show InChI InChI=1S/C18H20N6O/c1-9-15(12(4)23(5)22-9)18-20-11(3)16-10(2)19-13-7-8-14(25-6)21-17(13)24(16)18/h7-8H,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE3A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50357820
PNG
(CHEMBL1915910)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1 |(6.95,-22.59,;8.28,-23.36,;9.62,-22.59,;9.62,-21.05,;10.95,-20.28,;12.28,-21.04,;13.62,-20.25,;14.97,-21.03,;16.3,-20.25,;14.98,-22.58,;16.13,-23.63,;17.64,-23.31,;15.5,-25.05,;13.95,-24.89,;13.06,-26.14,;13.54,-27.6,;15.01,-28.07,;12.31,-28.52,;11.05,-27.62,;9.59,-28.11,;11.52,-26.15,;10.6,-24.92,;13.63,-23.36,;12.29,-22.59,;10.95,-23.36,)|
Show InChI InChI=1S/C18H20N6O/c1-9-15(12(4)23(5)22-9)18-20-11(3)16-10(2)19-13-7-8-14(25-6)21-17(13)24(16)18/h7-8H,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM50357820
PNG
(CHEMBL1915910)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1 |(6.95,-22.59,;8.28,-23.36,;9.62,-22.59,;9.62,-21.05,;10.95,-20.28,;12.28,-21.04,;13.62,-20.25,;14.97,-21.03,;16.3,-20.25,;14.98,-22.58,;16.13,-23.63,;17.64,-23.31,;15.5,-25.05,;13.95,-24.89,;13.06,-26.14,;13.54,-27.6,;15.01,-28.07,;12.31,-28.52,;11.05,-27.62,;9.59,-28.11,;11.52,-26.15,;10.6,-24.92,;13.63,-23.36,;12.29,-22.59,;10.95,-23.36,)|
Show InChI InChI=1S/C18H20N6O/c1-9-15(12(4)23(5)22-9)18-20-11(3)16-10(2)19-13-7-8-14(25-6)21-17(13)24(16)18/h7-8H,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE1B using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50357820
PNG
(CHEMBL1915910)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1 |(6.95,-22.59,;8.28,-23.36,;9.62,-22.59,;9.62,-21.05,;10.95,-20.28,;12.28,-21.04,;13.62,-20.25,;14.97,-21.03,;16.3,-20.25,;14.98,-22.58,;16.13,-23.63,;17.64,-23.31,;15.5,-25.05,;13.95,-24.89,;13.06,-26.14,;13.54,-27.6,;15.01,-28.07,;12.31,-28.52,;11.05,-27.62,;9.59,-28.11,;11.52,-26.15,;10.6,-24.92,;13.63,-23.36,;12.29,-22.59,;10.95,-23.36,)|
Show InChI InChI=1S/C18H20N6O/c1-9-15(12(4)23(5)22-9)18-20-11(3)16-10(2)19-13-7-8-14(25-6)21-17(13)24(16)18/h7-8H,1-6H3
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n/an/a 1.17E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE7A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50357820
PNG
(CHEMBL1915910)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1 |(6.95,-22.59,;8.28,-23.36,;9.62,-22.59,;9.62,-21.05,;10.95,-20.28,;12.28,-21.04,;13.62,-20.25,;14.97,-21.03,;16.3,-20.25,;14.98,-22.58,;16.13,-23.63,;17.64,-23.31,;15.5,-25.05,;13.95,-24.89,;13.06,-26.14,;13.54,-27.6,;15.01,-28.07,;12.31,-28.52,;11.05,-27.62,;9.59,-28.11,;11.52,-26.15,;10.6,-24.92,;13.63,-23.36,;12.29,-22.59,;10.95,-23.36,)|
Show InChI InChI=1S/C18H20N6O/c1-9-15(12(4)23(5)22-9)18-20-11(3)16-10(2)19-13-7-8-14(25-6)21-17(13)24(16)18/h7-8H,1-6H3
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE2A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM50357820
PNG
(CHEMBL1915910)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1 |(6.95,-22.59,;8.28,-23.36,;9.62,-22.59,;9.62,-21.05,;10.95,-20.28,;12.28,-21.04,;13.62,-20.25,;14.97,-21.03,;16.3,-20.25,;14.98,-22.58,;16.13,-23.63,;17.64,-23.31,;15.5,-25.05,;13.95,-24.89,;13.06,-26.14,;13.54,-27.6,;15.01,-28.07,;12.31,-28.52,;11.05,-27.62,;9.59,-28.11,;11.52,-26.15,;10.6,-24.92,;13.63,-23.36,;12.29,-22.59,;10.95,-23.36,)|
Show InChI InChI=1S/C18H20N6O/c1-9-15(12(4)23(5)22-9)18-20-11(3)16-10(2)19-13-7-8-14(25-6)21-17(13)24(16)18/h7-8H,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE8A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50357820
PNG
(CHEMBL1915910)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1 |(6.95,-22.59,;8.28,-23.36,;9.62,-22.59,;9.62,-21.05,;10.95,-20.28,;12.28,-21.04,;13.62,-20.25,;14.97,-21.03,;16.3,-20.25,;14.98,-22.58,;16.13,-23.63,;17.64,-23.31,;15.5,-25.05,;13.95,-24.89,;13.06,-26.14,;13.54,-27.6,;15.01,-28.07,;12.31,-28.52,;11.05,-27.62,;9.59,-28.11,;11.52,-26.15,;10.6,-24.92,;13.63,-23.36,;12.29,-22.59,;10.95,-23.36,)|
Show InChI InChI=1S/C18H20N6O/c1-9-15(12(4)23(5)22-9)18-20-11(3)16-10(2)19-13-7-8-14(25-6)21-17(13)24(16)18/h7-8H,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE9A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50357820
PNG
(CHEMBL1915910)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1 |(6.95,-22.59,;8.28,-23.36,;9.62,-22.59,;9.62,-21.05,;10.95,-20.28,;12.28,-21.04,;13.62,-20.25,;14.97,-21.03,;16.3,-20.25,;14.98,-22.58,;16.13,-23.63,;17.64,-23.31,;15.5,-25.05,;13.95,-24.89,;13.06,-26.14,;13.54,-27.6,;15.01,-28.07,;12.31,-28.52,;11.05,-27.62,;9.59,-28.11,;11.52,-26.15,;10.6,-24.92,;13.63,-23.36,;12.29,-22.59,;10.95,-23.36,)|
Show InChI InChI=1S/C18H20N6O/c1-9-15(12(4)23(5)22-9)18-20-11(3)16-10(2)19-13-7-8-14(25-6)21-17(13)24(16)18/h7-8H,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair