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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50027176   

LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of human phosphodiesterase 7More data for this Ligand-Target Pair
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataKi:  8.50E+3nMAssay Description:Inhibition of recombinant human His6-tagged PDE5A (535 to 786 residues)/PDE6C expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP as su...More data for this Ligand-Target Pair
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataKi:  8.50E+3nMAssay Description:Inhibition of recombinant human His6-tagged PDE5A (535 to 786 residues)/PDE6C expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP as su...More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  3.80E+4nMAssay Description:Inhibition of recombinant human PDE4D expressed in Escherichia coli assessed as increase in cAMP levels after 60 mins by BIOMOLGREEN dye-based assayMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  2.82E+4nMAssay Description:Inhibition of human GST-tagged PDE4B expressed in baculovirus infected Sf9 insect cells using cAMP as substrate after 10 mins by PDE-Glo Phosphodiest...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  8.56E+4nMAssay Description:Inhibition of human GST-tagged PDE7A expressed in baculovirus infected Sf9 insect cells using cAMP as substrate after 10 mins by PDE-Glo Phosphodiest...More data for this Ligand-Target Pair
TargetHigh affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  8.56E+4nMAssay Description:Inhibition of recombinant human PDE7A using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase AssayMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  2.82E+4nMAssay Description:Inhibition of recombinant human PDE4B using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase AssayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMonocarboxylate transporter 4(Homo sapiens (Human))
University Of Bristol

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  9.70E+5nMAssay Description:TP_TRANSPORTER: inhibition of L-Lactate uptake (L-Lactate:30mM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of human C-terminal His6-tagged PDE2A1 (215 to 900 residues) expressed in sf21 cellsMore data for this Ligand-Target Pair
TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of human C-terminal His6-tagged PDE2A1 (215 to 900 residues) expressed in sf21 cellsMore data for this Ligand-Target Pair
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3B(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  242nMAssay Description:Inhibition of human His-tagged PDE3B catalytic domain expressed in Escherichia coli BL21(DE3) pLysS cellsMore data for this Ligand-Target Pair
TargetHigh affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  7.00E+5nMAssay Description:Inhibition of recombinant PDE8A1 catalytic domain (480 to 820 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus cells using [3H...More data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  2.10E+3nMAssay Description:Inhibition of PDE5A (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  3.10E+4nMAssay Description:Inhibition of PDE4D (unknown origin)More data for this Ligand-Target Pair
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3B(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  242nMAssay Description:Inhibition of human His-tagged PDE3B catalytic domain expressed in Escherichia coli BL21(DE3) pLysS cellsMore data for this Ligand-Target Pair
TargetHigh affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  7.00E+5nMAssay Description:Inhibition of recombinant PDE8A1 catalytic domain (480 to 820 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus cells using [3H...More data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  2.10E+3nMAssay Description:Inhibition of PDE5A (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  3.10E+4nMAssay Description:Inhibition of PDE4D (unknown origin)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
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
TargetPhosphodiesterase(Leishmania major)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  5.80E+5nMAssay Description:Inhibition of Leishmania major PDEB1 catalytic domain (582 to 940 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3H]...More data for this Ligand-Target Pair
TargetPhosphodiesterase(Leishmania major)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  5.80E+5nMAssay Description:Inhibition of Leishmania major PDEB1 catalytic domain (582 to 940 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3H]...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
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A(Homo sapiens (Human))
La Trobe University

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibition of human PDE3A by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  1.43E+4nMAssay Description:Inhibition of recombinant human PDE4B using 5'-cGMP as substrate measured after 90 mins by colorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50027176(2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine...)
Affinity DataIC50:  4.66E+5nMAssay Description:Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed