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Compile Data Set for Download or QSAR

Found 299 hits with Last Name = 'talele' and Initial = 'tt'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50045776
PNG
(CHEMBL982 | JF-1 | NALMEFENE | Nalmetrene | ORF-11...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r|
Show InChI InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1
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0.0830n/an/an/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


J Med Chem 59: 8712-8756 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00472
BindingDB Entry DOI: 10.7270/Q29G5PR8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50045776
PNG
(CHEMBL982 | JF-1 | NALMEFENE | Nalmetrene | ORF-11...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r|
Show InChI InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu-opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


J Med Chem 59: 8712-8756 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00472
BindingDB Entry DOI: 10.7270/Q29G5PR8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14768
PNG
((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cnc4ccccc4n3)c2cc1OC |r|
Show InChI InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1
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4n/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
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14760
PNG
((R)-6,7-Dimethoxy-4-[3-(naphthalen-2-yloxy)-pyrrol...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4ccccc4c3)c2cc1OC |r|
Show InChI InChI=1S/C24H23N3O3/c1-28-22-12-20-21(13-23(22)29-2)25-15-26-24(20)27-10-9-19(14-27)30-18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13,15,19H,9-10,14H2,1-2H3/t19-/m1/s1
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12n/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
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14766
PNG
((R)-6,7-Dimethoxy-4-[3-(quinolin-7-yloxy)-pyrrolid...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4cccnc4c3)c2cc1OC |r|
Show InChI InChI=1S/C23H22N4O3/c1-28-21-11-18-20(12-22(21)29-2)25-14-26-23(18)27-9-7-17(13-27)30-16-6-5-15-4-3-8-24-19(15)10-16/h3-6,8,10-12,14,17H,7,9,13H2,1-2H3/t17-/m1/s1
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12n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14764
PNG
((R)-6,7-Dimethoxy-4-[3-(quinolin-6-yloxy)-pyrrolid...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4ncccc4c3)c2cc1OC |r|
Show InChI InChI=1S/C23H22N4O3/c1-28-21-11-18-20(12-22(21)29-2)25-14-26-23(18)27-9-7-17(13-27)30-16-5-6-19-15(10-16)4-3-8-24-19/h3-6,8,10-12,14,17H,7,9,13H2,1-2H3/t17-/m1/s1
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12n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50045776
PNG
(CHEMBL982 | JF-1 | NALMEFENE | Nalmetrene | ORF-11...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r|
Show InChI InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1
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16n/an/an/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta-opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


J Med Chem 59: 8712-8756 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00472
BindingDB Entry DOI: 10.7270/Q29G5PR8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14763
PNG
((R)-6,7-Dimethoxy-4-[3-(7-methoxy-naphthalen-2-ylo...)
Show SMILES COc1ccc2ccc(O[C@@H]3CCN(C3)c3ncnc4cc(OC)c(OC)cc34)cc2c1 |r|
Show InChI InChI=1S/C25H25N3O4/c1-29-18-6-4-16-5-7-19(11-17(16)10-18)32-20-8-9-28(14-20)25-21-12-23(30-2)24(31-3)13-22(21)26-15-27-25/h4-7,10-13,15,20H,8-9,14H2,1-3H3/t20-/m1/s1
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17n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14762
PNG
((R)-6,7-Dimethoxy-4-[3-(6-methoxy-naphthalen-2-ylo...)
Show SMILES COc1ccc2cc(O[C@@H]3CCN(C3)c3ncnc4cc(OC)c(OC)cc34)ccc2c1 |r|
Show InChI InChI=1S/C25H25N3O4/c1-29-18-6-4-17-11-19(7-5-16(17)10-18)32-20-8-9-28(14-20)25-21-12-23(30-2)24(31-3)13-22(21)26-15-27-25/h4-7,10-13,15,20H,8-9,14H2,1-3H3/t20-/m1/s1
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18n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14765
PNG
((R)-6,7-Dimethoxy-4-[3-(2-methyl-quinolin-6-yloxy)...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4nc(C)ccc4c3)c2cc1OC |r|
Show InChI InChI=1S/C24H24N4O3/c1-15-4-5-16-10-17(6-7-20(16)27-15)31-18-8-9-28(13-18)24-19-11-22(29-2)23(30-3)12-21(19)25-14-26-24/h4-7,10-12,14,18H,8-9,13H2,1-3H3/t18-/m1/s1
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18n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14767
PNG
((R)-4-[3-(Isoquinolin-3-yloxy)-pyrrolidin-1-yl]-6,...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cc4ccccc4cn3)c2cc1OC |r|
Show InChI InChI=1S/C23H22N4O3/c1-28-20-10-18-19(11-21(20)29-2)25-14-26-23(18)27-8-7-17(13-27)30-22-9-15-5-3-4-6-16(15)12-24-22/h3-6,9-12,14,17H,7-8,13H2,1-2H3/t17-/m1/s1
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19n/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
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
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM14761
PNG
((R)-6,7-Dimethoxy-4-[3-(naphthalen-1-yloxy)-pyrrol...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc4ccccc34)c2cc1OC |r|
Show InChI InChI=1S/C24H23N3O3/c1-28-22-12-19-20(13-23(22)29-2)25-15-26-24(19)27-11-10-17(14-27)30-21-9-5-7-16-6-3-4-8-18(16)21/h3-9,12-13,15,17H,10-11,14H2,1-2H3/t17-/m1/s1
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48n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14748
PNG
((R)-4-[3-(4-Ethoxy-phenoxy)-pyrrolidin-1-yl]-6,7-d...)
Show SMILES CCOc1ccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)cc1 |r|
Show InChI InChI=1S/C22H25N3O4/c1-4-28-15-5-7-16(8-6-15)29-17-9-10-25(13-17)22-18-11-20(26-2)21(27-3)12-19(18)23-14-24-22/h5-8,11-12,14,17H,4,9-10,13H2,1-3H3/t17-/m1/s1
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54n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14745
PNG
((R)-4-[1-(6,7-Dimethoxy-quinazolin-4-yl)-pyrrolidi...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C#N)c2cc1OC |r|
Show InChI InChI=1S/C21H20N4O3/c1-26-19-9-17-18(10-20(19)27-2)23-13-24-21(17)25-8-7-16(12-25)28-15-5-3-14(11-22)4-6-15/h3-6,9-10,13,16H,7-8,12H2,1-2H3/t16-/m1/s1
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56n/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 B


(Homo sapiens (Human))
BDBM14761
PNG
((R)-6,7-Dimethoxy-4-[3-(naphthalen-1-yloxy)-pyrrol...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc4ccccc34)c2cc1OC |r|
Show InChI InChI=1S/C24H23N3O3/c1-28-22-12-19-20(13-23(22)29-2)25-15-26-24(19)27-11-10-17(14-27)30-21-9-5-7-16-6-3-4-8-18(16)21/h3-9,12-13,15,17H,10-11,14H2,1-2H3/t17-/m1/s1
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56n/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
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM14751
PNG
((R)-4-[3-(3-Ethoxy-phenoxy)-pyrrolidin-1-yl]-6,7-d...)
Show SMILES CCOc1cccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)c1 |r|
Show InChI InChI=1S/C22H25N3O4/c1-4-28-15-6-5-7-16(10-15)29-17-8-9-25(13-17)22-18-11-20(26-2)21(27-3)12-19(18)23-14-24-22/h5-7,10-12,14,17H,4,8-9,13H2,1-3H3/t17-/m1/s1
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61n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14753
PNG
((R)-4-[3-(3,4-Dimethoxy-phenoxy)-pyrrolidin-1-yl]-...)
Show SMILES COc1ccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)cc1OC |r|
Show InChI InChI=1S/C22H25N3O5/c1-26-18-6-5-14(9-19(18)27-2)30-15-7-8-25(12-15)22-16-10-20(28-3)21(29-4)11-17(16)23-13-24-22/h5-6,9-11,13,15H,7-8,12H2,1-4H3/t15-/m1/s1
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67n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14752
PNG
((R)-4-[3-(Indan-5-yloxy)-pyrrolidin-1-yl]-6,7-dime...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4CCCc4c3)c2cc1OC |r|
Show InChI InChI=1S/C23H25N3O3/c1-27-21-11-19-20(12-22(21)28-2)24-14-25-23(19)26-9-8-18(13-26)29-17-7-6-15-4-3-5-16(15)10-17/h6-7,10-12,14,18H,3-5,8-9,13H2,1-2H3/t18-/m1/s1
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68n/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 3 (PDE3)


(Homo sapiens (Human))
BDBM14757
PNG
((R)-6,7-Dimethoxy-4-[3-(pyridin-2-yloxy)-pyrrolidi...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccn3)c2cc1OC |r|
Show InChI InChI=1S/C19H20N4O3/c1-24-16-9-14-15(10-17(16)25-2)21-12-22-19(14)23-8-6-13(11-23)26-18-5-3-4-7-20-18/h3-5,7,9-10,12-13H,6,8,11H2,1-2H3/t13-/m1/s1
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77n/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 B


(Homo sapiens (Human))
BDBM14751
PNG
((R)-4-[3-(3-Ethoxy-phenoxy)-pyrrolidin-1-yl]-6,7-d...)
Show SMILES CCOc1cccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)c1 |r|
Show InChI InChI=1S/C22H25N3O4/c1-4-28-15-6-5-7-16(10-15)29-17-8-9-25(13-17)22-18-11-20(26-2)21(27-3)12-19(18)23-14-24-22/h5-7,10-12,14,17H,4,8-9,13H2,1-3H3/t17-/m1/s1
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88n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14751
PNG
((R)-4-[3-(3-Ethoxy-phenoxy)-pyrrolidin-1-yl]-6,7-d...)
Show SMILES CCOc1cccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)c1 |r|
Show InChI InChI=1S/C22H25N3O4/c1-4-28-15-6-5-7-16(10-15)29-17-8-9-25(13-17)22-18-11-20(26-2)21(27-3)12-19(18)23-14-24-22/h5-7,10-12,14,17H,4,8-9,13H2,1-3H3/t17-/m1/s1
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94n/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 B


(Homo sapiens (Human))
BDBM14739
PNG
((R)-6,7-Dimethoxy-4-[3-(2-trifluoromethyl-phenoxy)...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3C(F)(F)F)c2cc1OC |r|
Show InChI InChI=1S/C21H20F3N3O3/c1-28-18-9-14-16(10-19(18)29-2)25-12-26-20(14)27-8-7-13(11-27)30-17-6-4-3-5-15(17)21(22,23)24/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



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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14747
PNG
((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
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100n/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 B


(Homo sapiens (Human))
BDBM14741
PNG
((R)-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-/m1/s1
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>100n/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
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM14764
PNG
((R)-6,7-Dimethoxy-4-[3-(quinolin-6-yloxy)-pyrrolid...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4ncccc4c3)c2cc1OC |r|
Show InChI InChI=1S/C23H22N4O3/c1-28-21-11-18-20(12-22(21)29-2)25-14-26-23(18)27-9-7-17(13-27)30-16-5-6-19-15(10-16)4-3-8-24-19/h3-6,8,10-12,14,17H,7,9,13H2,1-2H3/t17-/m1/s1
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104n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14759
PNG
((R)-6,7-Dimethoxy-4-[3-(pyridin-4-yloxy)-pyrrolidi...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccncc3)c2cc1OC |r|
Show InChI InChI=1S/C19H20N4O3/c1-24-17-9-15-16(10-18(17)25-2)21-12-22-19(15)23-8-5-14(11-23)26-13-3-6-20-7-4-13/h3-4,6-7,9-10,12,14H,5,8,11H2,1-2H3/t14-/m1/s1
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112n/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 3 (PDE3)


(Homo sapiens (Human))
BDBM14753
PNG
((R)-4-[3-(3,4-Dimethoxy-phenoxy)-pyrrolidin-1-yl]-...)
Show SMILES COc1ccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)cc1OC |r|
Show InChI InChI=1S/C22H25N3O5/c1-26-18-6-5-14(9-19(18)27-2)30-15-7-8-25(12-15)22-16-10-20(28-3)21(29-4)11-17(16)23-13-24-22/h5-6,9-11,13,15H,7-8,12H2,1-4H3/t15-/m1/s1
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121n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14757
PNG
((R)-6,7-Dimethoxy-4-[3-(pyridin-2-yloxy)-pyrrolidi...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccn3)c2cc1OC |r|
Show InChI InChI=1S/C19H20N4O3/c1-24-16-9-14-15(10-17(16)25-2)21-12-22-19(14)23-8-6-13(11-23)26-18-5-3-4-7-20-18/h3-5,7,9-10,12-13H,6,8,11H2,1-2H3/t13-/m1/s1
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123n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14758
PNG
((R)-6,7-Dimethoxy-4-[3-(pyridin-3-yloxy)-pyrrolidi...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cccnc3)c2cc1OC |r|
Show InChI InChI=1S/C19H20N4O3/c1-24-17-8-15-16(9-18(17)25-2)21-12-22-19(15)23-7-5-14(11-23)26-13-4-3-6-20-10-13/h3-4,6,8-10,12,14H,5,7,11H2,1-2H3/t14-/m1/s1
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128n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14744
PNG
((R)-2-[1-(6,7-Dimethoxy-quinazolin-4-yl)-pyrrolidi...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3C#N)c2cc1OC |r|
Show InChI InChI=1S/C21H20N4O3/c1-26-19-9-16-17(10-20(19)27-2)23-13-24-21(16)25-8-7-15(12-25)28-18-6-4-3-5-14(18)11-22/h3-6,9-10,13,15H,7-8,12H2,1-2H3/t15-/m1/s1
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130n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14750
PNG
((R)-4-[3-(Biphenyl-3-yloxy)-pyrrolidin-1-yl]-6,7-d...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc(c3)-c3ccccc3)c2cc1OC |r|
Show InChI InChI=1S/C26H25N3O3/c1-30-24-14-22-23(15-25(24)31-2)27-17-28-26(22)29-12-11-21(16-29)32-20-10-6-9-19(13-20)18-7-4-3-5-8-18/h3-10,13-15,17,21H,11-12,16H2,1-2H3/t21-/m1/s1
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136n/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 3 (PDE3)


(Homo sapiens (Human))
BDBM14752
PNG
((R)-4-[3-(Indan-5-yloxy)-pyrrolidin-1-yl]-6,7-dime...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4CCCc4c3)c2cc1OC |r|
Show InChI InChI=1S/C23H25N3O3/c1-27-21-11-19-20(12-22(21)28-2)24-14-25-23(19)26-9-8-18(13-26)29-17-7-6-15-4-3-5-16(15)10-17/h6-7,10-12,14,18H,3-5,8-9,13H2,1-2H3/t18-/m1/s1
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141n/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
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM14767
PNG
((R)-4-[3-(Isoquinolin-3-yloxy)-pyrrolidin-1-yl]-6,...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cc4ccccc4cn3)c2cc1OC |r|
Show InChI InChI=1S/C23H22N4O3/c1-28-20-10-18-19(11-21(20)29-2)25-14-26-23(18)27-8-7-17(13-27)30-22-9-15-5-3-4-6-16(15)12-24-22/h3-6,9-12,14,17H,7-8,13H2,1-2H3/t17-/m1/s1
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151n/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
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM14765
PNG
((R)-6,7-Dimethoxy-4-[3-(2-methyl-quinolin-6-yloxy)...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4nc(C)ccc4c3)c2cc1OC |r|
Show InChI InChI=1S/C24H24N4O3/c1-15-4-5-16-10-17(6-7-20(16)27-15)31-18-8-9-28(13-18)24-19-11-22(29-2)23(30-3)12-21(19)25-14-26-24/h4-7,10-12,14,18H,8-9,13H2,1-3H3/t18-/m1/s1
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152n/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
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM14748
PNG
((R)-4-[3-(4-Ethoxy-phenoxy)-pyrrolidin-1-yl]-6,7-d...)
Show SMILES CCOc1ccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)cc1 |r|
Show InChI InChI=1S/C22H25N3O4/c1-4-28-15-5-7-16(8-6-15)29-17-9-10-25(13-17)22-18-11-20(26-2)21(27-3)12-19(18)23-14-24-22/h5-8,11-12,14,17H,4,9-10,13H2,1-3H3/t17-/m1/s1
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161n/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
Phosphodiesterase 3 (PDE3)


(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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50373149
PNG
(CHEMBL429686)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3C(C)C)c2cc1OC
Show InChI InChI=1S/C23H27N3O3/c1-15(2)17-7-5-6-8-20(17)29-16-9-10-26(13-16)23-18-11-21(27-3)22(28-4)12-19(18)24-14-25-23/h5-8,11-12,14-16H,9-10,13H2,1-4H3/t16-/m1/s1
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171n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50373150
PNG
(CHEMBL430071)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3OC(F)(F)F)c2cc1OC
Show InChI InChI=1S/C21H20F3N3O4/c1-28-18-9-14-15(10-19(18)29-2)25-12-26-20(14)27-8-7-13(11-27)30-16-5-3-4-6-17(16)31-21(22,23)24/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m1/s1
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185n/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 B


(Homo sapiens (Human))
BDBM14767
PNG
((R)-4-[3-(Isoquinolin-3-yloxy)-pyrrolidin-1-yl]-6,...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cc4ccccc4cn3)c2cc1OC |r|
Show InChI InChI=1S/C23H22N4O3/c1-28-20-10-18-19(11-21(20)29-2)25-14-26-23(18)27-8-7-17(13-27)30-22-9-15-5-3-4-6-16(15)12-24-22/h3-6,9-12,14,17H,7-8,13H2,1-2H3/t17-/m1/s1
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196n/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
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 3 (PDE3)


(Homo sapiens (Human))
BDBM14762
PNG
((R)-6,7-Dimethoxy-4-[3-(6-methoxy-naphthalen-2-ylo...)
Show SMILES COc1ccc2cc(O[C@@H]3CCN(C3)c3ncnc4cc(OC)c(OC)cc34)ccc2c1 |r|
Show InChI InChI=1S/C25H25N3O4/c1-29-18-6-4-17-11-19(7-5-16(17)10-18)32-20-8-9-28(14-20)25-21-12-23(30-2)24(31-3)13-22(21)26-15-27-25/h4-7,10-13,15,20H,8-9,14H2,1-3H3/t20-/m1/s1
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199n/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 B


(Homo sapiens (Human))
BDBM14764
PNG
((R)-6,7-Dimethoxy-4-[3-(quinolin-6-yloxy)-pyrrolid...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4ncccc4c3)c2cc1OC |r|
Show InChI InChI=1S/C23H22N4O3/c1-28-21-11-18-20(12-22(21)29-2)25-14-26-23(18)27-9-7-17(13-27)30-16-5-6-19-15(10-16)4-3-8-24-19/h3-6,8,10-12,14,17H,7,9,13H2,1-2H3/t17-/m1/s1
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201n/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
cGMP-inhibited 3',5'-cyclic phosphodiesterase B


(Homo sapiens (Human))
BDBM14757
PNG
((R)-6,7-Dimethoxy-4-[3-(pyridin-2-yloxy)-pyrrolidi...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccn3)c2cc1OC |r|
Show InChI InChI=1S/C19H20N4O3/c1-24-16-9-14-15(10-17(16)25-2)21-12-22-19(14)23-8-6-13(11-23)26-18-5-3-4-7-20-18/h3-5,7,9-10,12-13H,6,8,11H2,1-2H3/t13-/m1/s1
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207n/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
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM14766
PNG
((R)-6,7-Dimethoxy-4-[3-(quinolin-7-yloxy)-pyrrolid...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4cccnc4c3)c2cc1OC |r|
Show InChI InChI=1S/C23H22N4O3/c1-28-21-11-18-20(12-22(21)29-2)25-14-26-23(18)27-9-7-17(13-27)30-16-6-5-15-4-3-8-24-19(15)10-16/h3-6,8,10-12,14,17H,7,9,13H2,1-2H3/t17-/m1/s1
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209n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM14761
PNG
((R)-6,7-Dimethoxy-4-[3-(naphthalen-1-yloxy)-pyrrol...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc4ccccc34)c2cc1OC |r|
Show InChI InChI=1S/C24H23N3O3/c1-28-22-12-19-20(13-23(22)29-2)25-15-26-24(19)27-11-10-17(14-27)30-21-9-5-7-16-6-3-4-8-18(16)21/h3-9,12-13,15,17H,10-11,14H2,1-2H3/t17-/m1/s1
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210n/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 3 (PDE3)


(Homo sapiens (Human))
BDBM14768
PNG
((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cnc4ccccc4n3)c2cc1OC |r|
Show InChI InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1
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211n/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
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM14745
PNG
((R)-4-[1-(6,7-Dimethoxy-quinazolin-4-yl)-pyrrolidi...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C#N)c2cc1OC |r|
Show InChI InChI=1S/C21H20N4O3/c1-26-19-9-17-18(10-20(19)27-2)23-13-24-21(17)25-8-7-16(12-25)28-15-5-3-14(11-22)4-6-15/h3-6,9-10,13,16H,7-8,12H2,1-2H3/t16-/m1/s1
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214n/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 B


(Homo sapiens (Human))
BDBM14765
PNG
((R)-6,7-Dimethoxy-4-[3-(2-methyl-quinolin-6-yloxy)...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4nc(C)ccc4c3)c2cc1OC |r|
Show InChI InChI=1S/C24H24N4O3/c1-15-4-5-16-10-17(6-7-20(16)27-15)31-18-8-9-28(13-18)24-19-11-22(29-2)23(30-3)12-21(19)25-14-26-24/h4-7,10-12,14,18H,8-9,13H2,1-3H3/t18-/m1/s1
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223n/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
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM14759
PNG
((R)-6,7-Dimethoxy-4-[3-(pyridin-4-yloxy)-pyrrolidi...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccncc3)c2cc1OC |r|
Show InChI InChI=1S/C19H20N4O3/c1-24-17-9-15-16(10-18(17)25-2)21-12-22-19(15)23-8-5-14(11-23)26-13-3-6-20-7-4-13/h3-4,6-7,9-10,12,14H,5,8,11H2,1-2H3/t14-/m1/s1
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226n/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
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