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PubMed code 18976905

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
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
Phosphodiesterase 5A


(Bos taurus)
BDBM50246252
PNG
(CHEMBL521075 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C22H25ClN4O4/c1-4-19(29)27-17-10-15-20(14(7-8-28)21(17)31-3)25-12-26-22(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,4,7-8,11H2,1-3H3,(H,27,29)(H,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246104
PNG
(CHEMBL512174 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(=O)C(F)(F)F)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C22H22ClF3N4O3/c1-4-5-13-18-14(9-16(19(13)33-3)30-21(31)22(24,25)26)20(29-11-28-18)27-10-12-6-7-17(32-2)15(23)8-12/h6-9,11H,4-5,10H2,1-3H3,(H,30,31)(H,27,28,29)
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n/an/a 4n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246145
PNG
(CHEMBL471702 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(=O)CC)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C23H27ClN4O3/c1-5-7-15-21-16(11-18(22(15)31-4)28-20(29)6-2)23(27-13-26-21)25-12-14-8-9-19(30-3)17(24)10-14/h8-11,13H,5-7,12H2,1-4H3,(H,28,29)(H,25,26,27)
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n/an/a 5n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246015
PNG
(CHEMBL473301 | N-(3-chloro-4-methoxybenzyl)-7-chlo...)
Show SMILES COc1ccc(CNc2ncnc3cc(Cl)c(cc23)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C16H12Cl2N4O3/c1-25-15-3-2-9(4-12(15)18)7-19-16-10-5-14(22(23)24)11(17)6-13(10)20-8-21-16/h2-6,8H,7H2,1H3,(H,19,20,21)
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n/an/a 8n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246199
PNG
(CHEMBL488265 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NC(C)=O)cc23)cc1Cl
Show InChI InChI=1S/C21H23ClN4O4/c1-12(28)26-17-9-15-19(14(6-7-27)20(17)30-3)24-11-25-21(15)23-10-13-4-5-18(29-2)16(22)8-13/h4-5,8-9,11,27H,6-7,10H2,1-3H3,(H,26,28)(H,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 10n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM50246070
PNG
(CHEMBL470310 | N-(3-chloro-4-methoxybenzyl)-8-ally...)
Show SMILES COc1ccc(CNc2ncnc3c(CC=C)c(OC)c(cc23)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C20H19ClN4O4/c1-4-5-13-18-14(9-16(25(26)27)19(13)29-3)20(24-11-23-18)22-10-12-6-7-17(28-2)15(21)8-12/h4,6-9,11H,1,5,10H2,2-3H3,(H,22,23,24)
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n/an/a 12n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246069
PNG
(4-(3-chloro-4-methoxybenzylamino)-8-allyl-6-nitroq...)
Show SMILES COc1ccc(CNc2ncnc3c(CC=C)c(O)c(cc23)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C19H17ClN4O4/c1-3-4-12-17-13(8-15(18(12)25)24(26)27)19(23-10-22-17)21-9-11-5-6-16(28-2)14(20)7-11/h3,5-8,10,25H,1,4,9H2,2H3,(H,21,22,23)
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n/an/a 12n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM50246148
PNG
(CHEMBL470492 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCN(C)C)c(OC)c(NC(=O)C(F)(F)F)cc23)cc1Cl
Show InChI InChI=1S/C23H25ClF3N5O3/c1-32(2)8-7-14-19-15(10-17(20(14)35-4)31-22(33)23(25,26)27)21(30-12-29-19)28-11-13-5-6-18(34-3)16(24)9-13/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,31,33)(H,28,29,30)
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n/an/a 14n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246146
PNG
(CHEMBL471703 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(=O)C(C)(C)C)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C25H31ClN4O3/c1-7-8-16-21-17(12-19(22(16)33-6)30-24(31)25(2,3)4)23(29-14-28-21)27-13-15-9-10-20(32-5)18(26)11-15/h9-12,14H,7-8,13H2,1-6H3,(H,30,31)(H,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246197
PNG
(CHEMBL520074 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CC=C)c1OC
Show InChI InChI=1S/C23H25ClN4O3/c1-5-7-15-21-16(11-18(22(15)31-4)28-20(29)6-2)23(27-13-26-21)25-12-14-8-9-19(30-3)17(24)10-14/h5,8-11,13H,1,6-7,12H2,2-4H3,(H,28,29)(H,25,26,27)
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n/an/a 18n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246106
PNG
(CHEMBL471529 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(C)=O)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C22H25ClN4O3/c1-5-6-15-20-16(10-18(21(15)30-4)27-13(2)28)22(26-12-25-20)24-11-14-7-8-19(29-3)17(23)9-14/h7-10,12H,5-6,11H2,1-4H3,(H,27,28)(H,24,25,26)
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n/an/a 18n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246147
PNG
(CHEMBL513593 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCN4CCCCC4)c(OC)c(NC(=O)C(F)(F)F)cc23)cc1Cl
Show InChI InChI=1S/C26H29ClF3N5O3/c1-37-21-7-6-16(12-19(21)27)14-31-24-18-13-20(34-25(36)26(28,29)30)23(38-2)17(22(18)32-15-33-24)8-11-35-9-4-3-5-10-35/h6-7,12-13,15H,3-5,8-11,14H2,1-2H3,(H,34,36)(H,31,32,33)
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n/an/a 19n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246107
PNG
(CHEMBL471701 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(=O)C2CC2)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C24H27ClN4O3/c1-4-5-16-21-17(11-19(22(16)32-3)29-24(30)15-7-8-15)23(28-13-27-21)26-12-14-6-9-20(31-2)18(25)10-14/h6,9-11,13,15H,4-5,7-8,12H2,1-3H3,(H,29,30)(H,26,27,28)
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n/an/a 19n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246251
PNG
(CHEMBL488080 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NC(=O)C(C)C)cc23)cc1Cl
Show InChI InChI=1S/C23H27ClN4O4/c1-13(2)23(30)28-18-10-16-20(15(7-8-29)21(18)32-4)26-12-27-22(16)25-11-14-5-6-19(31-3)17(24)9-14/h5-6,9-10,12-13,29H,7-8,11H2,1-4H3,(H,28,30)(H,25,26,27)
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n/an/a 21n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246105
PNG
(CHEMBL471528 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(=O)CN)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C22H26ClN5O3/c1-4-5-14-20-15(9-17(21(14)31-3)28-19(29)10-24)22(27-12-26-20)25-11-13-6-7-18(30-2)16(23)8-13/h6-9,12H,4-5,10-11,24H2,1-3H3,(H,28,29)(H,25,26,27)
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n/an/a 29n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246198
PNG
(CHEMBL488091 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CC=C)c1OC
Show InChI InChI=1S/C24H27ClN4O3/c1-5-7-16-22-17(12-19(23(16)32-4)29-21(30)8-6-2)24(28-14-27-22)26-13-15-9-10-20(31-3)18(25)11-15/h5,9-12,14H,1,6-8,13H2,2-4H3,(H,29,30)(H,26,27,28)
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n/an/a 32n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246068
PNG
(CHEMBL472558 | N-(3-chloro-4-methoxybenzyl)-7-meth...)
Show SMILES COc1ccc(CNc2ncnc3cc(OC)c(cc23)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C17H15ClN4O4/c1-25-15-4-3-10(5-12(15)18)8-19-17-11-6-14(22(23)24)16(26-2)7-13(11)20-9-21-17/h3-7,9H,8H2,1-2H3,(H,19,20,21)
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n/an/a 32n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246067
PNG
(CHEMBL524871 | N4-(3-chloro-4-methoxybenzyl)-N7,N7...)
Show SMILES COc1ccc(CNc2ncnc3cc(N(C)C)c(cc23)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C18H18ClN5O3/c1-23(2)15-8-14-12(7-16(15)24(25)26)18(22-10-21-14)20-9-11-4-5-17(27-3)13(19)6-11/h4-8,10H,9H2,1-3H3,(H,20,21,22)
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n/an/a 71n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246016
PNG
(CHEMBL473507 | N4-(3-chloro-4-methoxybenzyl)-N7-(2...)
Show SMILES COc1ccc(CNc2ncnc3cc(NCCN)c(cc23)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C18H19ClN6O3/c1-28-17-3-2-11(6-13(17)19)9-22-18-12-7-16(25(26)27)15(21-5-4-20)8-14(12)23-10-24-18/h2-3,6-8,10,21H,4-5,9,20H2,1H3,(H,22,23,24)
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n/an/a 570n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246071
PNG
(CHEMBL470311 | N4-(3-chloro-4-methoxybenzyl)-8-all...)
Show SMILES COc1ccc(CNc2ncnc3c(CC=C)c(OC)c(N)cc23)cc1Cl
Show InChI InChI=1S/C20H21ClN4O2/c1-4-5-13-18-14(9-16(22)19(13)27-3)20(25-11-24-18)23-10-12-6-7-17(26-2)15(21)8-12/h4,6-9,11H,1,5,10,22H2,2-3H3,(H,23,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246200
PNG
(CHEMBL487247 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NC(=O)c4ccccn4)cc23)cc1Cl
Show InChI InChI=1S/C25H24ClN5O4/c1-34-21-7-6-15(11-18(21)26)13-28-24-17-12-20(31-25(33)19-5-3-4-9-27-19)23(35-2)16(8-10-32)22(17)29-14-30-24/h3-7,9,11-12,14,32H,8,10,13H2,1-2H3,(H,31,33)(H,28,29,30)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50246104
PNG
(CHEMBL512174 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(=O)C(F)(F)F)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C22H22ClF3N4O3/c1-4-5-13-18-14(9-16(19(13)33-3)30-21(31)22(24,25)26)20(29-11-28-18)27-10-12-6-7-17(32-2)15(23)8-12/h6-9,11H,4-5,10H2,1-3H3,(H,30,31)(H,27,28,29)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50246251
PNG
(CHEMBL488080 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NC(=O)C(C)C)cc23)cc1Cl
Show InChI InChI=1S/C23H27ClN4O4/c1-13(2)23(30)28-18-10-16-20(15(7-8-29)21(18)32-4)26-12-27-22(16)25-11-14-5-6-19(31-3)17(24)9-14/h5-6,9-10,12-13,29H,7-8,11H2,1-4H3,(H,28,30)(H,25,26,27)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50246145
PNG
(CHEMBL471702 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(=O)CC)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C23H27ClN4O3/c1-5-7-15-21-16(11-18(22(15)31-4)28-20(29)6-2)23(27-13-26-21)25-12-14-8-9-19(30-3)17(24)10-14/h8-11,13H,5-7,12H2,1-4H3,(H,28,29)(H,25,26,27)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50246197
PNG
(CHEMBL520074 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CC=C)c1OC
Show InChI InChI=1S/C23H25ClN4O3/c1-5-7-15-21-16(11-18(22(15)31-4)28-20(29)6-2)23(27-13-26-21)25-12-14-8-9-19(30-3)17(24)10-14/h5,8-11,13H,1,6-7,12H2,2-4H3,(H,28,29)(H,25,26,27)
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n/an/a 7.80E+3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50246146
PNG
(CHEMBL471703 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(=O)C(C)(C)C)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C25H31ClN4O3/c1-7-8-16-21-17(12-19(22(16)33-6)30-24(31)25(2,3)4)23(29-14-28-21)27-13-15-9-10-20(32-5)18(26)11-15/h9-12,14H,7-8,13H2,1-6H3,(H,30,31)(H,27,28,29)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50246252
PNG
(CHEMBL521075 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C22H25ClN4O4/c1-4-19(29)27-17-10-15-20(14(7-8-28)21(17)31-3)25-12-26-22(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,4,7-8,11H2,1-3H3,(H,27,29)(H,24,25,26)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50246107
PNG
(CHEMBL471701 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(=O)C2CC2)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C24H27ClN4O3/c1-4-5-16-21-17(11-19(22(16)32-3)29-24(30)15-7-8-15)23(28-13-27-21)26-12-14-6-9-20(31-2)18(25)10-14/h6,9-11,13,15H,4-5,7-8,12H2,1-3H3,(H,29,30)(H,26,27,28)
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n/an/a 1.47E+4n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50246106
PNG
(CHEMBL471529 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(C)=O)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C22H25ClN4O3/c1-5-6-15-20-16(10-18(21(15)30-4)27-13(2)28)22(26-12-25-20)24-11-14-7-8-19(29-3)17(23)9-14/h7-10,12H,5-6,11H2,1-4H3,(H,27,28)(H,24,25,26)
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n/an/a 2.27E+4n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50246199
PNG
(CHEMBL488265 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NC(C)=O)cc23)cc1Cl
Show InChI InChI=1S/C21H23ClN4O4/c1-12(28)26-17-9-15-19(14(6-7-27)20(17)30-3)24-11-25-21(15)23-10-13-4-5-18(29-2)16(22)8-13/h4-5,8-9,11,27H,6-7,10H2,1-3H3,(H,26,28)(H,23,24,25)
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n/an/a 2.43E+4n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50246147
PNG
(CHEMBL513593 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCN4CCCCC4)c(OC)c(NC(=O)C(F)(F)F)cc23)cc1Cl
Show InChI InChI=1S/C26H29ClF3N5O3/c1-37-21-7-6-16(12-19(21)27)14-31-24-18-13-20(34-25(36)26(28,29)30)23(38-2)17(22(18)32-15-33-24)8-11-35-9-4-3-5-10-35/h6-7,12-13,15H,3-5,8-11,14H2,1-2H3,(H,34,36)(H,31,32,33)
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n/an/a 3.93E+4n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE11


Bioorg Med Chem Lett 18: 6279-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.108
BindingDB Entry DOI: 10.7270/Q2SB45MV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%