BindingDB PrimarySearch

BDBM14741 (R)-6,7-Dimethoxy-4-[3-(2-methoxy-phenoxy)-pyrrolidin-1-yl]-quinazoline::6,7-Dimethoxy-4-pyrrolidylquinazoline 4::6,7-dimethoxy-4-[(3R)-3-(2-methoxyphenoxy)pyrrolidin-1-yl]quinazoline

SMILES: COc1ccccc1O[C@@H]1CCN(C1)c1ncnc2cc(OC)c(OC)cc12

InChI Key: InChIKey=APOQAWXVAQVYAS-CQSZACIVSA-N

Data: 5 KI

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 14741
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
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM14741 ((R)-6,7-Dimethoxy-4-[3-(2-methoxy-phenoxy)-pyrroli...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>100	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
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM14741 ((R)-6,7-Dimethoxy-4-[3-(2-methoxy-phenoxy)-pyrroli...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>100	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
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM14741 ((R)-6,7-Dimethoxy-4-[3-(2-methoxy-phenoxy)-pyrroli...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<100	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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM14741 ((R)-6,7-Dimethoxy-4-[3-(2-methoxy-phenoxy)-pyrroli...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	240	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
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM14741 ((R)-6,7-Dimethoxy-4-[3-(2-methoxy-phenoxy)-pyrroli...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	240	-8.93	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