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PubMed code 19906530

Compile data set for download or QSAR
Found 22 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)
BDBM50304788
PNG
(CHEMBL594160 | methyl 4-(3-chloro-4-methoxybenzyla...)
Show SMILES COC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C22H25ClN4O5/c1-27(22(29)32-4)17-10-15-19(14(7-8-28)20(17)31-3)25-12-26-21(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,7-8,11H2,1-4H3,(H,24,25,26)
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n/an/a 0.600n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50304792
PNG
(CHEMBL595104 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(cc23)N(C)C(=O)C2CC2)cc1Cl
Show InChI InChI=1S/C24H27ClN4O4/c1-29(24(31)15-5-6-15)19-11-17-21(16(8-9-30)22(19)33-3)27-13-28-23(17)26-12-14-4-7-20(32-2)18(25)10-14/h4,7,10-11,13,15,30H,5-6,8-9,12H2,1-3H3,(H,26,27,28)
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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 platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50304789
PNG
(CHEMBL604271 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C23H27ClN4O4/c1-5-20(30)28(2)18-11-16-21(15(8-9-29)22(18)32-4)26-13-27-23(16)25-12-14-6-7-19(31-3)17(24)10-14/h6-7,10-11,13,29H,5,8-9,12H2,1-4H3,(H,25,26,27)
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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 platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50304790
PNG
(CHEMBL595330 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCN(C(=O)CC)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C24H29ClN4O4/c1-5-21(31)29(6-2)19-12-17-22(16(9-10-30)23(19)33-4)27-14-28-24(17)26-13-15-7-8-20(32-3)18(25)11-15/h7-8,11-12,14,30H,5-6,9-10,13H2,1-4H3,(H,26,27,28)
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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 platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
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 platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50304786
PNG
(CHEMBL603422 | methyl 4-(3-chloro-4-methoxybenzyla...)
Show SMILES COC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C21H23ClN4O5/c1-29-17-5-4-12(8-15(17)22)10-23-20-14-9-16(26-21(28)31-3)19(30-2)13(6-7-27)18(14)24-11-25-20/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 3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50304791
PNG
(CHEMBL592986 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(cc23)N(C)C(=O)C(C)C)cc1Cl
Show InChI InChI=1S/C24H29ClN4O4/c1-14(2)24(31)29(3)19-11-17-21(16(8-9-30)22(19)33-5)27-13-28-23(17)26-12-15-6-7-20(32-4)18(25)10-15/h6-7,10-11,13-14,30H,8-9,12H2,1-5H3,(H,26,27,28)
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n/an/a 3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
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 platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM50304784
PNG
(CHEMBL596454 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NS(C)(=O)=O)cc23)cc1Cl
Show InChI InChI=1S/C20H23ClN4O5S/c1-29-17-5-4-12(8-15(17)21)10-22-20-14-9-16(25-31(3,27)28)19(30-2)13(6-7-26)18(14)23-11-24-20/h4-5,8-9,11,25-26H,6-7,10H2,1-3H3,(H,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
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 platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM50304785
PNG
(2-(4-{[(3-chloro-4-methoxyphenyl)methyl]amino}-6-[...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NS(=O)(=O)N(C)C)cc23)cc1Cl
Show InChI InChI=1S/C21H26ClN5O5S/c1-27(2)33(29,30)26-17-10-15-19(14(7-8-28)20(17)32-4)24-12-25-21(15)23-11-13-5-6-18(31-3)16(22)9-13/h5-6,9-10,12,26,28H,7-8,11H2,1-4H3,(H,23,24,25)
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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 platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50304787
PNG
(CHEMBL596489 | ethyl 4-(3-chloro-4-methoxybenzylam...)
Show SMILES CCOC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C22H25ClN4O5/c1-4-32-22(29)27-17-10-15-19(14(7-8-28)20(17)31-3)25-12-26-21(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 17n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50304788
PNG
(CHEMBL594160 | methyl 4-(3-chloro-4-methoxybenzyla...)
Show SMILES COC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C22H25ClN4O5/c1-27(22(29)32-4)17-10-15-19(14(7-8-28)20(17)31-3)25-12-26-21(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,7-8,11H2,1-4H3,(H,24,25,26)
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n/an/a 140n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
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 140n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50304789
PNG
(CHEMBL604271 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C23H27ClN4O4/c1-5-20(30)28(2)18-11-16-21(15(8-9-29)22(18)32-4)26-13-27-23(16)25-12-14-6-7-19(31-3)17(24)10-14/h6-7,10-11,13,29H,5,8-9,12H2,1-4H3,(H,25,26,27)
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n/an/a 320n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50304792
PNG
(CHEMBL595104 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(cc23)N(C)C(=O)C2CC2)cc1Cl
Show InChI InChI=1S/C24H27ClN4O4/c1-29(24(31)15-5-6-15)19-11-17-21(16(8-9-30)22(19)33-3)27-13-28-23(17)26-12-14-4-7-20(32-2)18(25)10-14/h4,7,10-11,13,15,30H,5-6,8-9,12H2,1-3H3,(H,26,27,28)
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n/an/a 340n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
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 460n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50304787
PNG
(CHEMBL596489 | ethyl 4-(3-chloro-4-methoxybenzylam...)
Show SMILES CCOC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C22H25ClN4O5/c1-4-32-22(29)27-17-10-15-19(14(7-8-28)20(17)31-3)25-12-26-21(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 600n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50304786
PNG
(CHEMBL603422 | methyl 4-(3-chloro-4-methoxybenzyla...)
Show SMILES COC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C21H23ClN4O5/c1-29-17-5-4-12(8-15(17)22)10-23-20-14-9-16(26-21(28)31-3)19(30-2)13(6-7-27)18(14)24-11-25-20/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 710n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50304791
PNG
(CHEMBL592986 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(cc23)N(C)C(=O)C(C)C)cc1Cl
Show InChI InChI=1S/C24H29ClN4O4/c1-14(2)24(31)29(3)19-11-17-21(16(8-9-30)22(19)33-5)27-13-28-23(17)26-12-15-6-7-20(32-4)18(25)10-15/h6-7,10-11,13-14,30H,8-9,12H2,1-5H3,(H,26,27,28)
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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 retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
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 3.00E+3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50304785
PNG
(2-(4-{[(3-chloro-4-methoxyphenyl)methyl]amino}-6-[...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NS(=O)(=O)N(C)C)cc23)cc1Cl
Show InChI InChI=1S/C21H26ClN5O5S/c1-27(2)33(29,30)26-17-10-15-19(14(7-8-28)20(17)32-4)24-12-25-21(15)23-11-13-5-6-18(31-3)16(22)9-13/h5-6,9-10,12,26,28H,7-8,11H2,1-4H3,(H,23,24,25)
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n/an/a 7.95E+3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%