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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 14756   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM14756
PNG
((R)-4-[3-(5-Chloro-pyrimidin-2-yloxy)-pyrrolidin-1...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ncc(Cl)cn3)c2cc1OC |r|
Show InChI InChI=1S/C18H18ClN5O3/c1-25-15-5-13-14(6-16(15)26-2)22-10-23-17(13)24-4-3-12(9-24)27-18-20-7-11(19)8-21-18/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m1/s1
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44n/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))
BDBM14756
PNG
((R)-4-[3-(5-Chloro-pyrimidin-2-yloxy)-pyrrolidin-1...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ncc(Cl)cn3)c2cc1OC |r|
Show InChI InChI=1S/C18H18ClN5O3/c1-25-15-5-13-14(6-16(15)26-2)22-10-23-17(13)24-4-3-12(9-24)27-18-20-7-11(19)8-21-18/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m1/s1
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44n/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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM14756
PNG
((R)-4-[3-(5-Chloro-pyrimidin-2-yloxy)-pyrrolidin-1...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ncc(Cl)cn3)c2cc1OC |r|
Show InChI InChI=1S/C18H18ClN5O3/c1-25-15-5-13-14(6-16(15)26-2)22-10-23-17(13)24-4-3-12(9-24)27-18-20-7-11(19)8-21-18/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m1/s1
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162n/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 3A


(Homo sapiens (Human))
BDBM14756
PNG
((R)-4-[3-(5-Chloro-pyrimidin-2-yloxy)-pyrrolidin-1...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ncc(Cl)cn3)c2cc1OC |r|
Show InChI InChI=1S/C18H18ClN5O3/c1-25-15-5-13-14(6-16(15)26-2)22-10-23-17(13)24-4-3-12(9-24)27-18-20-7-11(19)8-21-18/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m1/s1
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162n/an/an/an/an/an/an/an/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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))
BDBM14756
PNG
((R)-4-[3-(5-Chloro-pyrimidin-2-yloxy)-pyrrolidin-1...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ncc(Cl)cn3)c2cc1OC |r|
Show InChI InChI=1S/C18H18ClN5O3/c1-25-15-5-13-14(6-16(15)26-2)22-10-23-17(13)24-4-3-12(9-24)27-18-20-7-11(19)8-21-18/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m1/s1
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332n/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 3B


(Homo sapiens (Human))
BDBM14756
PNG
((R)-4-[3-(5-Chloro-pyrimidin-2-yloxy)-pyrrolidin-1...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ncc(Cl)cn3)c2cc1OC |r|
Show InChI InChI=1S/C18H18ClN5O3/c1-25-15-5-13-14(6-16(15)26-2)22-10-23-17(13)24-4-3-12(9-24)27-18-20-7-11(19)8-21-18/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m1/s1
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Article
PubMed
332n/an/an/an/an/an/an/an/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