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BDBM50300113 1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-3-yl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one::CHEMBL583914

SMILES: C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1

InChI Key: InChIKey=SNCRCEGCQVMUBS-DNVCBOLYSA-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 = 50300113   
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
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE11


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a 349n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE10


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE3A


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE4C


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE7B


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair