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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.

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 4 hits for monomerid = 14743   
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))
BDBM14743
PNG
((R)-4-[3-(2-Chloro-phenoxy)-pyrrolidin-1-yl]-6,7-d...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3Cl)c2cc1OC |r|
Show InChI InChI=1S/C20H20ClN3O3/c1-25-18-9-14-16(10-19(18)26-2)22-12-23-20(14)24-8-7-13(11-24)27-17-6-4-3-5-15(17)21/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m1/s1
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<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))
BDBM14743
PNG
((R)-4-[3-(2-Chloro-phenoxy)-pyrrolidin-1-yl]-6,7-d...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3Cl)c2cc1OC |r|
Show InChI InChI=1S/C20H20ClN3O3/c1-25-18-9-14-16(10-19(18)26-2)22-12-23-20(14)24-8-7-13(11-24)27-17-6-4-3-5-15(17)21/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m1/s1
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<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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14743
PNG
((R)-4-[3-(2-Chloro-phenoxy)-pyrrolidin-1-yl]-6,7-d...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3Cl)c2cc1OC |r|
Show InChI InChI=1S/C20H20ClN3O3/c1-25-18-9-14-16(10-19(18)26-2)22-12-23-20(14)24-8-7-13(11-24)27-17-6-4-3-5-15(17)21/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m1/s1
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198n/an/an/an/an/an/an/an/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 Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM14743
PNG
((R)-4-[3-(2-Chloro-phenoxy)-pyrrolidin-1-yl]-6,7-d...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3Cl)c2cc1OC |r|
Show InChI InChI=1S/C20H20ClN3O3/c1-25-18-9-14-16(10-19(18)26-2)22-12-23-20(14)24-8-7-13(11-24)27-17-6-4-3-5-15(17)21/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m1/s1
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198 -9.05n/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