BDBM14745 (R)-4-[1-(6,7-Dimethoxy-quinazolin-4-yl)-pyrrolidin-3-yloxy]-benzonitrile::4-{[(3R)-1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]oxy}benzonitrile::6,7-Dimethoxy-4-pyrrolidylquinazoline 8

SMILES: COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C#N)c2cc1OC

InChI Key: InChIKey=GWIPZYBIMCNGCR-MRXNPFEDSA-N

Data: 6 KI

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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 14745   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM14745 ((R)-4-[1-(6,7-Dimethoxy-quinazolin-4-yl)-pyrrolidi...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C#N)c2cc1OC |r| Show InChI InChI=1S/C21H20N4O3/c1-26-19-9-17-18(10-20(19)27-2)23-13-24-21(17)25-8-7-16(12-25)28-15-5-3-14(11-22)4-6-15/h3-6,9-10,13,16H,7-8,12H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	-9.79	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
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM14745 ((R)-4-[1-(6,7-Dimethoxy-quinazolin-4-yl)-pyrrolidi...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C#N)c2cc1OC |r| Show InChI InChI=1S/C21H20N4O3/c1-26-19-9-17-18(10-20(19)27-2)23-13-24-21(17)25-8-7-16(12-25)28-15-5-3-14(11-22)4-6-15/h3-6,9-10,13,16H,7-8,12H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	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
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM14745 ((R)-4-[1-(6,7-Dimethoxy-quinazolin-4-yl)-pyrrolidi...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C#N)c2cc1OC |r| Show InChI InChI=1S/C21H20N4O3/c1-26-19-9-17-18(10-20(19)27-2)23-13-24-21(17)25-8-7-16(12-25)28-15-5-3-14(11-22)4-6-15/h3-6,9-10,13,16H,7-8,12H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	214	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
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM14745 ((R)-4-[1-(6,7-Dimethoxy-quinazolin-4-yl)-pyrrolidi...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C#N)c2cc1OC |r| Show InChI InChI=1S/C21H20N4O3/c1-26-19-9-17-18(10-20(19)27-2)23-13-24-21(17)25-8-7-16(12-25)28-15-5-3-14(11-22)4-6-15/h3-6,9-10,13,16H,7-8,12H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	214	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
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM14745 ((R)-4-[1-(6,7-Dimethoxy-quinazolin-4-yl)-pyrrolidi...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C#N)c2cc1OC |r| Show InChI InChI=1S/C21H20N4O3/c1-26-19-9-17-18(10-20(19)27-2)23-13-24-21(17)25-8-7-16(12-25)28-15-5-3-14(11-22)4-6-15/h3-6,9-10,13,16H,7-8,12H2,1-2H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	471	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
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM14745 ((R)-4-[1-(6,7-Dimethoxy-quinazolin-4-yl)-pyrrolidi...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C#N)c2cc1OC |r| Show InChI InChI=1S/C21H20N4O3/c1-26-19-9-17-18(10-20(19)27-2)23-13-24-21(17)25-8-7-16(12-25)28-15-5-3-14(11-22)4-6-15/h3-6,9-10,13,16H,7-8,12H2,1-2H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	471	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
					More data for this Ligand-Target Pair