BindingDB PrimarySearch

BDBM14743 (R)-4-[3-(2-Chloro-phenoxy)-pyrrolidin-1-yl]-6,7-dimethoxy-quinazoline::4-[(3R)-3-(2-chlorophenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline::6,7-Dimethoxy-4-pyrrolidylquinazoline 6

SMILES: COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3Cl)c2cc1OC

InChI Key: InChIKey=IDUQTNNDVLFGOC-CYBMUJFWSA-N

Data: 4 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 4 hits for monomerid = 14743
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 3 (PDE3) (Homo sapiens (Human))	BDBM14743 ((R)-4-[3-(2-Chloro-phenoxy)-pyrrolidin-1-yl]-6,7-d...) 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
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM14743 ((R)-4-[3-(2-Chloro-phenoxy)-pyrrolidin-1-yl]-6,7-d...) 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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM14743 ((R)-4-[3-(2-Chloro-phenoxy)-pyrrolidin-1-yl]-6,7-d...) 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	198	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))	BDBM14743 ((R)-4-[3-(2-Chloro-phenoxy)-pyrrolidin-1-yl]-6,7-d...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	198	-9.05	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