BDBM50027176 2-Acetoxy-Benzoic Acid::3-Isobutyl-Methylxanthine::CHEBI:34795::ISOBUTYLMETHYLXANTHINE

SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O

InChI Key InChIKey=APIXJSLKIYYUKG-UHFFFAOYSA-N

Data  3 KI  26 IC50

PDB links: 20 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50027176   

TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of recombinant human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3...More data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50: >1.17E+5nMAssay Description:Inhibition of recombinant human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3...More data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50: >1.17E+5nMAssay Description:Inhibition of recombinant human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3...More data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of recombinant human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3...More data for this Ligand-Target Pair