BDBM14749 (R)-4-[3-(3-Isopropyl-phenoxy)-pyrrolidin-1-yl]-6,7-dimethoxy-quinazoline::6,7-Dimethoxy-4-pyrrolidylquinazoline 12::6,7-dimethoxy-4-[(3R)-3-[3-(propan-2-yl)phenoxy]pyrrolidin-1-yl]quinazoline

SMILES: COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc(c3)C(C)C)c2cc1OC

InChI Key: InChIKey=PKPONRIRXFIKES-GOSISDBHSA-N

Data: 3 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 3 hits for monomerid = 14749   

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))	BDBM14749 ((R)-4-[3-(3-Isopropyl-phenoxy)-pyrrolidin-1-yl]-6,...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc(c3)C(C)C)c2cc1OC |r| Show InChI InChI=1S/C23H27N3O3/c1-15(2)16-6-5-7-17(10-16)29-18-8-9-26(13-18)23-19-11-21(27-3)22(28-4)12-20(19)24-14-25-23/h5-7,10-12,14-15,18H,8-9,13H2,1-4H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	171	-9.13	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
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM14749 ((R)-4-[3-(3-Isopropyl-phenoxy)-pyrrolidin-1-yl]-6,...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc(c3)C(C)C)c2cc1OC |r| Show InChI InChI=1S/C23H27N3O3/c1-15(2)16-6-5-7-17(10-16)29-18-8-9-26(13-18)23-19-11-21(27-3)22(28-4)12-20(19)24-14-25-23/h5-7,10-12,14-15,18H,8-9,13H2,1-4H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	370	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))	BDBM14749 ((R)-4-[3-(3-Isopropyl-phenoxy)-pyrrolidin-1-yl]-6,...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc(c3)C(C)C)c2cc1OC |r| Show InChI InChI=1S/C23H27N3O3/c1-15(2)16-6-5-7-17(10-16)29-18-8-9-26(13-18)23-19-11-21(27-3)22(28-4)12-20(19)24-14-25-23/h5-7,10-12,14-15,18H,8-9,13H2,1-4H3/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	474	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