BDBM50397838 CHEMBL2179105::PF-04447943::US10513524, Reference compound disclosed in WO2008/139293::US11608342, Reference compound disclosed in WO2008/139293::WO2008/139293, AF27873

SMILES C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C4CCOCC4)C(=O)N2)Cc5ncccn5

InChI Key InChIKey=IWXUVYOOUMLUTQ-UHFFFAOYSA-N

Data  17 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50397838   

TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
Imara

US Patent

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 70nMAssay Description:TBDMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
9/25/2022
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PDB3D Structure (crystal)
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TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A(Human)
Cardurion Pharmaceuticals

US Patent

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 2.50E+3nMAssay Description:Non-limiting examples of PDE9 inhibitors of formula (II) are disclosed in WO 2013/110768, the contents of which are incorporated herein by reference ...More data for this Ligand-Target Pair

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Date in BDB:
5/26/2025
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TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
Imara

US Patent

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 70nMAssay Description:Non-limiting examples of PDE9 inhibitors of formula (II) are disclosed in WO 2013/110768, the contents of which are incorporated herein by reference ...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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Date in BDB:
5/26/2025
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PDB3D Structure (crystal)
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TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
Imara

US Patent

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 8nMAssay Description:Inhibition of PDE9A (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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In Depth
Date in BDB:
6/24/2023
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TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
Imara

US Patent

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 8.30nMAssay Description:Inhibition of PDE9 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
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Date in BDB:
6/21/2023
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TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Mouse)
Bayer

Curated by ChEMBL

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataEC50:  1.70E+3nMAssay Description:Inhibition of mouse PDE9A expressed in recombinant CHO cells coexpressing soluble guanylate cyclase incubated for 6 mins by [3H]-cGMP scintillation p...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
6/24/2023
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TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A(Human)
Cardurion Pharmaceuticals

US Patent

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 2.50E+3nMAssay Description:PDE1 assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzym1 (sufficient to con...More data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
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Date in BDB:
5/5/2023
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TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
Imara

US Patent

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 70nMAssay Description:A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...More data for this Ligand-Target Pair

Target InfoPDBKEGG
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Date in BDB:
5/5/2023
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PDB3D Structure (crystal)
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TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A(Human)
Cardurion Pharmaceuticals

US Patent

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 2.50E+3nMAssay Description:TBDMore data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
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Date in BDB:
9/25/2022
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TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PDE5More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
5/17/2013
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TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B(Human)
H. Lundbeck

US Patent

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 2.50E+3nMAssay Description:PDE1 assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzym1 (sufficient to con...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
10/24/2020
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TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
Imara

US Patent

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 70nMAssay Description:A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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Date in BDB:
10/24/2020
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PDB3D Structure (crystal)
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TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PDE3AMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
5/17/2013
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TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4C(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PDE4CMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
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Date in BDB:
5/17/2013
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TargetcAMP-specific 3',5'-cyclic phosphodiesterase 7B(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PDE7BMore data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
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Date in BDB:
5/17/2013
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TargetHigh affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PDE8BMore data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
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Date in BDB:
5/17/2013
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TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
Imara

US Patent

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 8.30nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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Date in BDB:
5/17/2013
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TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50397838(CHEMBL2179105 | US10513524, Reference compound dis...)Copy SMILESCopy InChI

Affinity DataIC50: 1.39E+3nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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Date in BDB:
5/17/2013
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