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BDBM14742 (S)-6,7-Dimethoxy-4-[3-(2-methoxy-phenoxy)-pyrrolidin-1-yl]-quinazoline::6,7-Dimethoxy-4-pyrrolidylquinazoline 5::6,7-dimethoxy-4-[(3S)-3-(2-methoxyphenoxy)pyrrolidin-1-yl]quinazoline

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

InChI Key: InChIKey=APOQAWXVAQVYAS-AWEZNQCLSA-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 = 14742   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM14742
PNG
((S)-6,7-Dimethoxy-4-[3-(2-methoxy-phenoxy)-pyrroli...)
Show SMILES COc1ccccc1O[C@H]1CCN(C1)c1ncnc2cc(OC)c(OC)cc12 |r|
Show InChI InChI=1S/C21H23N3O4/c1-25-17-6-4-5-7-18(17)28-14-8-9-24(12-14)21-15-10-19(26-2)20(27-3)11-16(15)22-13-23-21/h4-7,10-11,13-14H,8-9,12H2,1-3H3/t14-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
>100n/an/an/an/an/an/an/an/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))
BDBM14742
PNG
((S)-6,7-Dimethoxy-4-[3-(2-methoxy-phenoxy)-pyrroli...)
Show SMILES COc1ccccc1O[C@H]1CCN(C1)c1ncnc2cc(OC)c(OC)cc12 |r|
Show InChI InChI=1S/C21H23N3O4/c1-25-17-6-4-5-7-18(17)28-14-8-9-24(12-14)21-15-10-19(26-2)20(27-3)11-16(15)22-13-23-21/h4-7,10-11,13-14H,8-9,12H2,1-3H3/t14-/m0/s1
PDB
MMDB

NCI pathway
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>100n/an/an/an/an/an/an/an/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
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM14742
PNG
((S)-6,7-Dimethoxy-4-[3-(2-methoxy-phenoxy)-pyrroli...)
Show SMILES COc1ccccc1O[C@H]1CCN(C1)c1ncnc2cc(OC)c(OC)cc12 |r|
Show InChI InChI=1S/C21H23N3O4/c1-25-17-6-4-5-7-18(17)28-14-8-9-24(12-14)21-15-10-19(26-2)20(27-3)11-16(15)22-13-23-21/h4-7,10-11,13-14H,8-9,12H2,1-3H3/t14-/m0/s1
PDB
MMDB

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GoogleScholar
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PC sid
UniChem
Article
PubMed
641 -8.36n/an/an/an/an/a7.522



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