BDBM14747 (R)-4-[3-(4-tert-Butyl-phenoxy)-pyrrolidin-1-yl]-6,7-dimethoxy-quinazoline::4-[(3R)-3-(4-tert-butylphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline::6,7-Dimethoxy-4-pyrrolidylquinazoline 10

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

InChI Key: InChIKey=FDQFJBXHRLSJAL-GOSISDBHSA-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 = 14747   

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))	BDBM14747 ((R)-4-[3-(4-tert-Butyl-phenoxy)-pyrrolidin-1-yl]-6...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C(C)(C)C)c2cc1OC |r| Show InChI InChI=1S/C24H29N3O3/c1-24(2,3)16-6-8-17(9-7-16)30-18-10-11-27(14-18)23-19-12-21(28-4)22(29-5)13-20(19)25-15-26-23/h6-9,12-13,15,18H,10-11,14H2,1-5H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	-9.45	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))	BDBM14747 ((R)-4-[3-(4-tert-Butyl-phenoxy)-pyrrolidin-1-yl]-6...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C(C)(C)C)c2cc1OC |r| Show InChI InChI=1S/C24H29N3O3/c1-24(2,3)16-6-8-17(9-7-16)30-18-10-11-27(14-18)23-19-12-21(28-4)22(29-5)13-20(19)25-15-26-23/h6-9,12-13,15,18H,10-11,14H2,1-5H3/t18-/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	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 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))	BDBM14747 ((R)-4-[3-(4-tert-Butyl-phenoxy)-pyrrolidin-1-yl]-6...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C(C)(C)C)c2cc1OC |r| Show InChI InChI=1S/C24H29N3O3/c1-24(2,3)16-6-8-17(9-7-16)30-18-10-11-27(14-18)23-19-12-21(28-4)22(29-5)13-20(19)25-15-26-23/h6-9,12-13,15,18H,10-11,14H2,1-5H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	720	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))	BDBM14747 ((R)-4-[3-(4-tert-Butyl-phenoxy)-pyrrolidin-1-yl]-6...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C(C)(C)C)c2cc1OC |r| Show InChI InChI=1S/C24H29N3O3/c1-24(2,3)16-6-8-17(9-7-16)30-18-10-11-27(14-18)23-19-12-21(28-4)22(29-5)13-20(19)25-15-26-23/h6-9,12-13,15,18H,10-11,14H2,1-5H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	720	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))	BDBM14747 ((R)-4-[3-(4-tert-Butyl-phenoxy)-pyrrolidin-1-yl]-6...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C(C)(C)C)c2cc1OC |r| Show InChI InChI=1S/C24H29N3O3/c1-24(2,3)16-6-8-17(9-7-16)30-18-10-11-27(14-18)23-19-12-21(28-4)22(29-5)13-20(19)25-15-26-23/h6-9,12-13,15,18H,10-11,14H2,1-5H3/t18-/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	1.89E+3	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))	BDBM14747 ((R)-4-[3-(4-tert-Butyl-phenoxy)-pyrrolidin-1-yl]-6...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C(C)(C)C)c2cc1OC |r| Show InChI InChI=1S/C24H29N3O3/c1-24(2,3)16-6-8-17(9-7-16)30-18-10-11-27(14-18)23-19-12-21(28-4)22(29-5)13-20(19)25-15-26-23/h6-9,12-13,15,18H,10-11,14H2,1-5H3/t18-/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	1.89E+3	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