BDBM28393 (+)-EHNA::(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol::CHEMBL296435

SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12

InChI Key InChIKey=IOSAAWHGJUZBOG-WDEREUQCSA-N

Data  10 KI  16 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 28393   

TargetAdenosine deaminase(Bovine)
University of Rhode Island

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataKi:  0.820nMAssay Description:Tested for binding affinity against calf intestinal Adenosine Deaminase (ADA)More data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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TargetAdenosine deaminase(Human)
Hefei University of Technology

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataKi:  1nMAssay Description:Binding affinity to ADA (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails PubMedMMDB
PDB3D Structure (crystal)
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TargetAdenosine deaminase(Bovine)
University of Rhode Island

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataKi:  1.10nMAssay Description:Inhibitory activity against adenosine deaminase in calf intestinal mucosa.More data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticleMMDB
PDB3D Structure (crystal)
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TargetAdenosine deaminase(Bovine)
University of Rhode Island

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataKi:  1.13nMAssay Description:Inhibition of Adenosine deaminase (ADA) of calf intestineMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
Copy BDB DOI
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TargetAdenosine deaminase(Bovine)
University of Rhode Island

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataKi:  1.14nMAssay Description:Inhibitory constant against bovine spleen Adenosine deaminaseMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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TargetAdenosine deaminase(Bovine)
University of Rhode Island

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataKi:  2nMAssay Description:Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)More data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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TargetAdenosine deaminase(Human)
Hefei University of Technology

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataKi:  2nMAssay Description:Compound was evaluated for the inhibition of adenosine deaminaseMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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TargetAdenosine deaminase(Bovine)
University of Rhode Island

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataKi:  2nMAssay Description:Binding affinity (Ki) at calf intestinal Adenosine deaminaseChecked by AuthorMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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TargetAdenosine deaminase(Bovine)
University of Rhode Island

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataKi:  2.20nMAssay Description:Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine additionMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
Copy BDB DOI
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TargetAdenosine deaminase(Bovine)
University of Rhode Island

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataKi:  1.14E+3nM ΔG°:  -8.24kcal/molepH: 7.2 T: 30°CAssay Description:The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...More data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
Pfizer

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory activity against PDE9 by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
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TargetHigh affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A(Human)
Pfizer

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory activity against PDE8A by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
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TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Human)
East China University of Science and Technology

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50:  2.46E+3nMAssay Description:Inhibition of recombinant human PDE2A catalytic domain (580 to 919 residues) expressed in Escherichia coli BL21 (Codonplus) using [3H]cGMP as substra...More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
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TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Human)
East China University of Science and Technology

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50:  800nMAssay Description:Inhibition of human PDE2 using c[8-3H]cAMP or c[8-3H]cGMP as substrate measured after 10 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Human)
East China University of Science and Technology

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50:  2.62E+3nMAssay Description:Inhibition of human recombinant PDE2A using cGMP as substrate incubated for 20 mins measured by Kinase Glo reagent based microplate reader assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
Pfizer

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory activity against PDE10 by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetHigh affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B(Human)
Pfizer

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory activity against PDE8B by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
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TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A(Human)
Pfizer

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory activity against PDE4A by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4C(Human)
Pfizer

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory activity against PDE4C by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
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TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Pfizer

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory activity against PDE4D by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Human)
East China University of Science and Technology

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50:  635nMAssay Description:Inhibitory activity against PDE2 by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B(Human)
Pfizer

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory activity against PDE3 by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathway
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
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TargetDual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A(Human)
Pfizer

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory activity against PDE11 by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Human)
Pfizer

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory activity against PDE5 by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
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TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C(Human)
Pfizer

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory activity against PDE1 by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
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TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Pfizer

Curated by ChEMBL

LigandBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory activity against PDE4B by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
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