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15 molecules are shown

Wt: 294.3
BDBM50300099
Wt: 365.4
BDBM50300100
Wt: 351.4
BDBM50300101
Wt: 377.4
BDBM50300102
Wt: 391.5
BDBM50300103
Wt: 378.4
BDBM50300104
Wt: 408.4
BDBM50300105
Wt: 446.4
BDBM50300106
Wt: 393.4
BDBM50300107
Wt: 393.4
BDBM50300108
Wt: 395.5
BDBM50300109
Wt: 382.4
BDBM50300110
Wt: 417.5
BDBM50300111
Wt: 429.5
BDBM50300112
Wt: 429.5
BDBM50300113

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 57 hits for monomerid = 50300099,50300100,50300101,50300102,50300103,50300104,50300105,50300106,50300107,50300108,50300109,50300110,50300111,50300112,50300113   
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 9A


(Homo sapiens (human))
BDBM50300112
PNG
(CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
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-/m0/s1
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n/an/a 1.90n/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))
BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50300112
PNG
(CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
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-/m0/s1
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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
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))
BDBM50300101
PNG
(6-[(3,4-trans)-1-benzyl-4-methylpyrrolidin-3-yl]-1...)
Show SMILES CC(C)n1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1
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n/an/a 66n/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 (crystal)
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
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 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300105
PNG
(CHEMBL575775 | trans-1-cyclopentyl-6-(1-((6-methox...)
Show SMILES COc1ccc(CN2C[C@@H](C)[C@@H](C2)c2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cn1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-27(12-15-7-8-19(30-2)23-9-15)13-18(14)20-25-21-17(22(29)26-20)10-24-28(21)16-5-3-4-6-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3,(H,25,26,29)/t14-,18-/m1/s1
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n/an/a 269n/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
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50300109
PNG
(CHEMBL575791 | trans-1-cyclopentyl-6-(1-((1,3-dime...)
Show SMILES C[C@@H]1CN(Cc2cc(C)nn2C)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H29N7O/c1-13-10-27(11-16-8-14(2)25-26(16)3)12-18(13)19-23-20-17(21(29)24-19)9-22-28(20)15-6-4-5-7-15/h8-9,13,15,18H,4-7,10-12H2,1-3H3,(H,23,24,29)/t13-,18-/m1/s1
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n/an/a 11n/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 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300104
PNG
(CHEMBL582856 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H26N6O/c1-14-11-26(12-15-6-4-5-9-22-15)13-18(14)19-24-20-17(21(28)25-19)10-23-27(20)16-7-2-3-8-16/h4-6,9-10,14,16,18H,2-3,7-8,11-13H2,1H3,(H,24,25,28)/t14-,18-/m1/s1
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n/an/a 1.30E+3n/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
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 2.10n/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 (crystal)
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50300111
PNG
(CHEMBL566300 | trans-1-cyclopentyl-6-(1-(imidazo[1...)
Show SMILES C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H27N7O/c1-15-11-28(12-16-13-29-9-5-4-8-20(29)25-16)14-19(15)21-26-22-18(23(31)27-21)10-24-30(22)17-6-2-3-7-17/h4-5,8-10,13,15,17,19H,2-3,6-7,11-12,14H2,1H3,(H,26,27,31)/t15-,19-/m1/s1
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n/an/a 12n/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))
BDBM50300100
PNG
(CHEMBL576952 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES CC(C)Cn1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C21H27N5O/c1-14(2)10-26-20-17(9-22-26)21(27)24-19(23-20)18-13-25(11-15(18)3)12-16-7-5-4-6-8-16/h4-9,14-15,18H,10-13H2,1-3H3,(H,23,24,27)/t15-,18-/m1/s1
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n/an/a 150n/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))
BDBM50300108
PNG
(CHEMBL575790 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H27N7O/c1-13-10-27(11-15-8-22-14(2)7-23-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-5-3-4-6-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
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n/an/a 15n/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 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300102
PNG
(CHEMBL572747 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H27N5O/c1-15-12-26(13-16-7-3-2-4-8-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-9-5-6-10-17/h2-4,7-8,11,15,17,19H,5-6,9-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m1/s1
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n/an/a 970n/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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300109
PNG
(CHEMBL575791 | trans-1-cyclopentyl-6-(1-((1,3-dime...)
Show SMILES C[C@@H]1CN(Cc2cc(C)nn2C)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H29N7O/c1-13-10-27(11-16-8-14(2)25-26(16)3)12-18(13)19-23-20-17(21(29)24-19)9-22-28(20)15-6-4-5-7-15/h8-9,13,15,18H,4-7,10-12H2,1-3H3,(H,23,24,29)/t13-,18-/m1/s1
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n/an/a 195n/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
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50300102
PNG
(CHEMBL572747 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H27N5O/c1-15-12-26(13-16-7-3-2-4-8-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-9-5-6-10-17/h2-4,7-8,11,15,17,19H,5-6,9-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m1/s1
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n/an/a 63n/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))
BDBM50300103
PNG
(CHEMBL575745 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H29N5O/c1-15-6-5-7-17(10-15)13-27-12-16(2)20(14-27)21-25-22-19(23(29)26-21)11-24-28(22)18-8-3-4-9-18/h5-7,10-11,16,18,20H,3-4,8-9,12-14H2,1-2H3,(H,25,26,29)/t16-,20-/m1/s1
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n/an/a 40n/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
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))
BDBM50300108
PNG
(CHEMBL575790 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H27N7O/c1-13-10-27(11-15-8-22-14(2)7-23-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-5-3-4-6-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
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n/an/a 209n/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
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
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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300112
PNG
(CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
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-/m0/s1
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n/an/a 73n/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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300101
PNG
(6-[(3,4-trans)-1-benzyl-4-methylpyrrolidin-3-yl]-1...)
Show SMILES CC(C)n1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1
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n/an/a 2.10E+3n/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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300111
PNG
(CHEMBL566300 | trans-1-cyclopentyl-6-(1-(imidazo[1...)
Show SMILES C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H27N7O/c1-15-11-28(12-16-13-29-9-5-4-8-20(29)25-16)14-19(15)21-26-22-18(23(31)27-21)10-24-30(22)17-6-2-3-7-17/h4-5,8-10,13,15,17,19H,2-3,6-7,11-12,14H2,1H3,(H,26,27,31)/t15-,19-/m1/s1
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n/an/a 220n/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
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 2.10n/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 (crystal)
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50300111
PNG
(CHEMBL566300 | trans-1-cyclopentyl-6-(1-(imidazo[1...)
Show SMILES C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H27N7O/c1-15-11-28(12-16-13-29-9-5-4-8-20(29)25-16)14-19(15)21-26-22-18(23(31)27-21)10-24-30(22)17-6-2-3-7-17/h4-5,8-10,13,15,17,19H,2-3,6-7,11-12,14H2,1H3,(H,26,27,31)/t15-,19-/m1/s1
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n/an/a 12n/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))
BDBM50300110
PNG
(CHEMBL583064 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cc(C)on2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C20H26N6O2/c1-12-9-25(10-14-7-13(2)28-24-14)11-17(12)18-22-19-16(20(27)23-18)8-21-26(19)15-5-3-4-6-15/h7-8,12,15,17H,3-6,9-11H2,1-2H3,(H,22,23,27)/t12-,17-/m1/s1
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n/an/a 11n/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))
BDBM50300100
PNG
(CHEMBL576952 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES CC(C)Cn1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C21H27N5O/c1-14(2)10-26-20-17(9-22-26)21(27)24-19(23-20)18-13-25(11-15(18)3)12-16-7-5-4-6-8-16/h4-9,14-15,18H,10-13H2,1-3H3,(H,23,24,27)/t15-,18-/m1/s1
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n/an/a 150n/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))
BDBM50300106
PNG
(CHEMBL574449 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2ccc(nc2)C(F)(F)F)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H25F3N6O/c1-13-10-30(11-14-6-7-18(26-8-14)22(23,24)25)12-17(13)19-28-20-16(21(32)29-19)9-27-31(20)15-4-2-3-5-15/h6-9,13,15,17H,2-5,10-12H2,1H3,(H,28,29,32)/t13-,17-/m1/s1
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n/an/a 16n/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 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 2.10n/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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300102
PNG
(CHEMBL572747 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H27N5O/c1-15-12-26(13-16-7-3-2-4-8-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-9-5-6-10-17/h2-4,7-8,11,15,17,19H,5-6,9-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m1/s1
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n/an/a 970n/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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300103
PNG
(CHEMBL575745 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H29N5O/c1-15-6-5-7-17(10-15)13-27-12-16(2)20(14-27)21-25-22-19(23(29)26-21)11-24-28(22)18-8-3-4-9-18/h5-7,10-11,16,18,20H,3-4,8-9,12-14H2,1-2H3,(H,25,26,29)/t16-,20-/m1/s1
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n/an/a 563n/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
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50300102
PNG
(CHEMBL572747 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H27N5O/c1-15-12-26(13-16-7-3-2-4-8-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-9-5-6-10-17/h2-4,7-8,11,15,17,19H,5-6,9-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m1/s1
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n/an/a 63n/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))
BDBM50300103
PNG
(CHEMBL575745 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H29N5O/c1-15-6-5-7-17(10-15)13-27-12-16(2)20(14-27)21-25-22-19(23(29)26-21)11-24-28(22)18-8-3-4-9-18/h5-7,10-11,16,18,20H,3-4,8-9,12-14H2,1-2H3,(H,25,26,29)/t16-,20-/m1/s1
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n/an/a 40n/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))
BDBM50300107
PNG
(CHEMBL578033 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H27N7O/c1-13-10-27(11-15-7-22-14(2)23-8-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-5-3-4-6-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
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n/an/a 11n/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 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300107
PNG
(CHEMBL578033 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H27N7O/c1-13-10-27(11-15-7-22-14(2)23-8-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-5-3-4-6-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
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n/an/a 407n/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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300110
PNG
(CHEMBL583064 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cc(C)on2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C20H26N6O2/c1-12-9-25(10-14-7-13(2)28-24-14)11-17(12)18-22-19-16(20(27)23-18)8-21-26(19)15-5-3-4-6-15/h7-8,12,15,17H,3-6,9-11H2,1-2H3,(H,22,23,27)/t12-,17-/m1/s1
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n/an/a 110n/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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300106
PNG
(CHEMBL574449 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2ccc(nc2)C(F)(F)F)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H25F3N6O/c1-13-10-30(11-14-6-7-18(26-8-14)22(23,24)25)12-17(13)19-28-20-16(21(32)29-19)9-27-31(20)15-4-2-3-5-15/h6-9,13,15,17H,2-5,10-12H2,1H3,(H,28,29,32)/t13-,17-/m1/s1
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n/an/a 195n/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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300100
PNG
(CHEMBL576952 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES CC(C)Cn1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C21H27N5O/c1-14(2)10-26-20-17(9-22-26)21(27)24-19(23-20)18-13-25(11-15(18)3)12-16-7-5-4-6-8-16/h4-9,14-15,18H,10-13H2,1-3H3,(H,23,24,27)/t15-,18-/m1/s1
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n/an/a 1.50E+3n/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
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50300104
PNG
(CHEMBL582856 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H26N6O/c1-14-11-26(12-15-6-4-5-9-22-15)13-18(14)19-24-20-17(21(28)25-19)10-23-27(20)16-7-2-3-8-16/h4-6,9-10,14,16,18H,2-3,7-8,11-13H2,1H3,(H,24,25,28)/t14-,18-/m1/s1
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n/an/a 200n/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))
BDBM50300105
PNG
(CHEMBL575775 | trans-1-cyclopentyl-6-(1-((6-methox...)
Show SMILES COc1ccc(CN2C[C@@H](C)[C@@H](C2)c2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cn1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-27(12-15-7-8-19(30-2)23-9-15)13-18(14)20-25-21-17(22(29)26-20)10-24-28(21)16-5-3-4-6-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3,(H,25,26,29)/t14-,18-/m1/s1
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n/an/a 29n/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 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 2.10n/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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300100
PNG
(CHEMBL576952 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES CC(C)Cn1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C21H27N5O/c1-14(2)10-26-20-17(9-22-26)21(27)24-19(23-20)18-13-25(11-15(18)3)12-16-7-5-4-6-8-16/h4-9,14-15,18H,10-13H2,1-3H3,(H,23,24,27)/t15-,18-/m1/s1
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n/an/a 1.50E+3n/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
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50300101
PNG
(6-[(3,4-trans)-1-benzyl-4-methylpyrrolidin-3-yl]-1...)
Show SMILES CC(C)n1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1
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n/an/a 66n/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 (crystal)
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300101
PNG
(6-[(3,4-trans)-1-benzyl-4-methylpyrrolidin-3-yl]-1...)
Show SMILES CC(C)n1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1
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n/an/a 2.10E+3n/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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300103
PNG
(CHEMBL575745 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H29N5O/c1-15-6-5-7-17(10-15)13-27-12-16(2)20(14-27)21-25-22-19(23(29)26-21)11-24-28(22)18-8-3-4-9-18/h5-7,10-11,16,18,20H,3-4,8-9,12-14H2,1-2H3,(H,25,26,29)/t16-,20-/m1/s1
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n/an/a 563n/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
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50300104
PNG
(CHEMBL582856 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H26N6O/c1-14-11-26(12-15-6-4-5-9-22-15)13-18(14)19-24-20-17(21(28)25-19)10-23-27(20)16-7-2-3-8-16/h4-6,9-10,14,16,18H,2-3,7-8,11-13H2,1H3,(H,24,25,28)/t14-,18-/m1/s1
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n/an/a 200n/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 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300104
PNG
(CHEMBL582856 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H26N6O/c1-14-11-26(12-15-6-4-5-9-22-15)13-18(14)19-24-20-17(21(28)25-19)10-23-27(20)16-7-2-3-8-16/h4-6,9-10,14,16,18H,2-3,7-8,11-13H2,1H3,(H,24,25,28)/t14-,18-/m1/s1
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n/an/a 1.30E+3n/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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300111
PNG
(CHEMBL566300 | trans-1-cyclopentyl-6-(1-(imidazo[1...)
Show SMILES C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H27N7O/c1-15-11-28(12-16-13-29-9-5-4-8-20(29)25-16)14-19(15)21-26-22-18(23(31)27-21)10-24-30(22)17-6-2-3-7-17/h4-5,8-10,13,15,17,19H,2-3,6-7,11-12,14H2,1H3,(H,26,27,31)/t15-,19-/m1/s1
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n/an/a 220n/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
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300112
PNG
(CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
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-/m0/s1
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n/an/a 73n/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
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
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
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