BindingDB PrimarySearch

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 25 IC50

PDB links: 19 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50027176
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Phosphodiesterase 7 (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 7				J Med Chem 48: 3449-62 (2005) Article DOI: 10.1021/jm040217u BindingDB Entry DOI: 10.7270/Q21G0N2H
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
PDE5A/PDE6C (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay 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...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
PDE5A/PDE6C (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay 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...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4D expressed in Escherichia coli assessed as increase in cAMP levels after 60 mins by BIOMOLGREEN dye-based assay				Eur J Med Chem 146: 139-146 (2018) Article DOI: 10.1016/j.ejmech.2018.01.035 BindingDB Entry DOI: 10.7270/Q27W6FQT
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay 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...				Eur J Med Chem 146: 381-394 (2018) Article DOI: 10.1016/j.ejmech.2018.01.068 BindingDB Entry DOI: 10.7270/Q2XD1496
Jagiellonian University Curated by ChEMBL					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay 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...				Eur J Med Chem 146: 381-394 (2018) Article DOI: 10.1016/j.ejmech.2018.01.068 BindingDB Entry DOI: 10.7270/Q2XD1496
Jagiellonian University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE7A using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase Assay				Eur J Med Chem 158: 517-533 (2018) Article DOI: 10.1016/j.ejmech.2018.09.021 BindingDB Entry DOI: 10.7270/Q2TB19K7
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE4B using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase Assay				Eur J Med Chem 158: 517-533 (2018) Article DOI: 10.1016/j.ejmech.2018.09.021 BindingDB Entry DOI: 10.7270/Q2TB19K7
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of L-Lactate uptake (L-Lactate:30mM) in Xenopus laevis oocytes				J Physiol (Lond) 529: 285-93 (2000) Article DOI: 10.1111/j.1469-7793.2000.00285.x BindingDB Entry DOI: 10.7270/Q2WM1H9H
University of Bristol Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged PDE2A1 (215 to 900 residues) expressed in sf21 cells				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged PDE2A1 (215 to 900 residues) expressed in sf21 cells				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human His-tagged PDE3B catalytic domain expressed in Escherichia coli BL21(DE3) pLysS cells				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase 8 (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of recombinant PDE8A1 catalytic domain (480 to 820 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus cells using [3H...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of PDE5A (unknown origin)				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of PDE4D (unknown origin)				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human His-tagged PDE3B catalytic domain expressed in Escherichia coli BL21(DE3) pLysS cells				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase 8 (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of recombinant PDE8A1 catalytic domain (480 to 820 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus cells using [3H...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of PDE5A (unknown origin)				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of PDE4D (unknown origin)				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Class I phosphodiesterase PDEB1 (Leishmania major)	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of Leishmania major PDEB1 catalytic domain (582 to 940 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3H]...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Class I phosphodiesterase PDEB1 (Leishmania major)	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of Leishmania major PDEB1 catalytic domain (582 to 940 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3H]...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
La Trobe University Curated by ChEMBL					Assay Description Inhibition of human PDE3A by HTRF assay				Bioorg Med Chem 25: 5531-5536 (2017) Article DOI: 10.1016/j.bmc.2017.08.022 BindingDB Entry DOI: 10.7270/Q27D2XKG
La Trobe University Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium channel protein type I I alpha subunit (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...				J Med Chem 28: 381-8 (1985) BindingDB Entry DOI: 10.7270/Q2Z321T8
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Calcium channel (Type L) (Homo sapiens (Human))	BDBM50027176 (2-Acetoxy-Benzoic Acid \| 3-Isobutyl-Methylxanthine...) Show SMILES CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...				J Appl Toxicol 32: 858-66 (2012) Article DOI: 10.1002/jat.2784 BindingDB Entry DOI: 10.7270/Q2D79D5C
Jagiellonian University Curated by ChEMBL					More data for this Ligand-Target Pair