BindingDB PrimarySearch

BDBM14768 (R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrolidin-1-yl]-quinazoline::6,7-Dimethoxy-4-pyrrolidylquinazoline 29::6,7-dimethoxy-4-[(3R)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline

SMILES: COc1cc2ncnc(N3CC[C@H](C3)Oc3cnc4ccccc4n3)c2cc1OC

InChI Key: InChIKey=UBIIFKJMNRPNMT-CQSZACIVSA-N

Data: 6 KI 2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 14768
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 Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM14768 ((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 (Homo sapiens (Human))	BDBM14768 ((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PDE10A				Bioorg Med Chem 16: 3675-86 (2008) Article DOI: 10.1016/j.bmc.2008.02.013 BindingDB Entry DOI: 10.7270/Q2V988ZC
St. John's University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM14768 ((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM14768 ((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PDE3A				Bioorg Med Chem 16: 3675-86 (2008) Article DOI: 10.1016/j.bmc.2008.02.013 BindingDB Entry DOI: 10.7270/Q2V988ZC
St. John's University Curated by ChEMBL					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM14768 ((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PDE3B				Bioorg Med Chem 16: 3675-86 (2008) Article DOI: 10.1016/j.bmc.2008.02.013 BindingDB Entry DOI: 10.7270/Q2V988ZC
St. John's University Curated by ChEMBL					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM14768 ((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14768 ((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	64	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 (Homo sapiens (Human))	BDBM14768 ((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	64	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)