Affinity Data by PDB ID

PDB code 2WEY

Identical Ligands in BindingDB

Found 14 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (316/337 = 94%)^† (Rattus norvegicus (rat))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	17	-43.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...				J Med Chem 50: 182-5 (2007) Article DOI: 10.1021/jm060653b BindingDB Entry DOI: 10.7270/Q2930RDX
Pfizer					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (341/341 = 100%)^† (Homo sapiens (Human))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of human PDE10A expressed in Sf9 cells using [3H]cAMP by scintillation proximity assay				Bioorg Med Chem 19: 642-9 (2011) Article DOI: 10.1016/j.bmc.2010.10.038 BindingDB Entry DOI: 10.7270/Q2TT4R73
Universit£ di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (341/341 = 100%)^† (Homo sapiens (Human))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as reduction in hydrolysis of [3H]cAMP by scintillation proximity assay				Eur J Med Chem 46: 3986-95 (2011) Article DOI: 10.1016/j.ejmech.2011.05.072 BindingDB Entry DOI: 10.7270/Q279452C
Washington University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (341/341 = 100%)^† (Homo sapiens (Human))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to PDE10A (unknown origin)				Bioorg Med Chem Lett 25: 919-24 (2015) Article DOI: 10.1016/j.bmcl.2014.12.054 BindingDB Entry DOI: 10.7270/Q2H41T6N
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (316/337 = 94%)^† (Rattus norvegicus (rat))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Competitive inhibition of rat recombinant PDE10A by scintillation proximity assay in presence of cAMP				Bioorg Med Chem Lett 26: 197-202 (2016) Article DOI: 10.1016/j.bmcl.2015.10.100 BindingDB Entry DOI: 10.7270/Q21Z47FT
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (341/341 = 100%)^† (Homo sapiens (Human))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant full length PDE10A using cAMP as substrate preincubated for 20 mins measured after 4 hrs				Bioorg Med Chem Lett 22: 1944-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.046 BindingDB Entry DOI: 10.7270/Q2KH0NTP
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (316/337 = 94%)^† (Rattus norvegicus (rat))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibition of rat PDE10A				Eur J Med Chem 46: 3986-95 (2011) Article DOI: 10.1016/j.ejmech.2011.05.072 BindingDB Entry DOI: 10.7270/Q279452C
Washington University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (316/337 = 94%)^† (Rattus norvegicus (rat))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant rat PDE10A expressed in Sf9 insect cells using cGMP or cAMP as substrate by scintillation proximity assay				Eur J Med Chem 150: 742-756 (2018) Article DOI: 10.1016/j.ejmech.2018.03.046 BindingDB Entry DOI: 10.7270/Q2JM2D83
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (341/341 = 100%)^† (Homo sapiens (Human))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 22: 2648-54 (2014) Article DOI: 10.1016/j.bmc.2014.03.028 BindingDB Entry DOI: 10.7270/Q26M38C2
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (341/341 = 100%)^† (Homo sapiens (Human))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE10A				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (341/341 = 100%)^† (Homo sapiens (Human))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	56.9	n/a	n/a	n/a	n/a	n/a	n/a
Biotie Therapies GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A expressed in baculovirus-SF21 cell system assessed as hydrolysis of [3H]cAMP after 1 hr by liquid scintillatio...				J Med Chem 53: 4399-411 (2010) Article DOI: 10.1021/jm1002793 BindingDB Entry DOI: 10.7270/Q2MK6D3N
Biotie Therapies GmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (341/341 = 100%)^† (Homo sapiens (Human))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	56.9	n/a	n/a	n/a	n/a	n/a	n/a
Biotie Therapies GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A expressed in baculovirus-SF21 cell system assessed as hydrolysis of [3H]cAMP after 1 hr by liquid scintillatio...				J Med Chem 53: 4399-411 (2010) Article DOI: 10.1021/jm1002793 BindingDB Entry DOI: 10.7270/Q2MK6D3N
Biotie Therapies GmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (341/341 = 100%)^† (Homo sapiens (Human))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (341/341 = 100%)^† (Homo sapiens (Human))	BDBM14754 (1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...) Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A				Bioorg Med Chem Lett 21: 3738-42 (2011) Article DOI: 10.1016/j.bmcl.2011.04.067 BindingDB Entry DOI: 10.7270/Q24B31PT
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output