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BDBM50357832 CHEMBL1916091

SMILES: COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1

InChI Key: InChIKey=VAYNYSLGOOSRMO-UHFFFAOYSA-N

Data: 11 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50357832   
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))
BDBM50357832
PNG
(CHEMBL1916091)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1
Show InChI InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
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PubMed
n/an/a 1.85E+3n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50357832
PNG
(CHEMBL1916091)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1
Show InChI InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
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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)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357832
PNG
(CHEMBL1916091)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1
Show InChI InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
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n/an/a 11n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50357832
PNG
(CHEMBL1916091)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1
Show InChI InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
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n/an/a 2.68E+3n/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)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50357832
PNG
(CHEMBL1916091)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1
Show InChI InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
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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)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (human))
BDBM50357832
PNG
(CHEMBL1916091)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1
Show InChI InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
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PubMed
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)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50357832
PNG
(CHEMBL1916091)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1
Show InChI InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
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PubMed
n/an/a 2.32E+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)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357832
PNG
(CHEMBL1916091)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1
Show InChI InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
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PubMed
n/an/a 38n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50357832
PNG
(CHEMBL1916091)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1
Show InChI InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
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PubMed
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)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50357832
PNG
(CHEMBL1916091)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1
Show InChI InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
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Article
PubMed
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)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50357832
PNG
(CHEMBL1916091)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1
Show InChI InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
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Article
PubMed
n/an/a 1.63E+3n/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)

More data for this
Ligand-Target Pair