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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 6' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 6


(Homo sapiens-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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50n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 6


J Med Chem 48: 3449-62 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM23620
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...)
Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
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125n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 6


J Med Chem 48: 3449-62 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM14363
PNG
(3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0...)
Show SMILES CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
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400n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 6


J Med Chem 48: 3449-62 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM14776
PNG
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)
Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
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n/an/a 11n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 6


J Med Chem 48: 3449-62 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-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 25n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 6 isolated from bovine retina


Bioorg Med Chem Lett 15: 2790-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-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 40n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


J Med Chem 49: 5363-71 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-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 40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM50193586
PNG
(7-benzyl-4-isopropyl-9-methyl-2-phenyl-7H-3,3a,5,7...)
Show SMILES CC(C)c1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-16(2)24-26-23-22(21-14-20(28-30(21)24)19-12-8-5-9-13-19)17(3)27-29(25(23)31)15-18-10-6-4-7-11-18/h4-14,16H,15H2,1-3H3
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n/an/a 62n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


J Med Chem 49: 5363-71 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50165810
PNG
(5-(7-Benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydro-3,...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(CCCCC(O)=O)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-18-25-22-16-21(20-12-6-3-7-13-20)30-32(22)23(14-8-9-15-24(33)34)28-26(25)27(35)31(29-18)17-19-10-4-2-5-11-19/h2-7,10-13,16H,8-9,14-15,17H2,1H3,(H,33,34)
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n/an/a 63n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-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 74n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6 (Phosphodiesterase 6)


J Med Chem 46: 4533-42 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50165805
PNG
(4-(7-Benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydro-3,...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(CCCC(O)=O)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C26H23N5O3/c1-17-24-21-15-20(19-11-6-3-7-12-19)29-31(21)22(13-8-14-23(32)33)27-25(24)26(34)30(28-17)16-18-9-4-2-5-10-18/h2-7,9-12,15H,8,13-14,16H2,1H3,(H,32,33)
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n/an/a 110n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50166820
PNG
(3-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3cccc(C)n23)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H26N6O4S/c1-4-33-18-9-8-16(34(31,32)28-12-10-27(3)11-13-28)14-17(18)21-25-22-20(23(30)26-21)24-19-7-5-6-15(2)29(19)22/h5-9,14H,4,10-13H2,1-3H3,(H,25,26,30)
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n/an/a 184n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 6 isolated from bovine retina


Bioorg Med Chem Lett 15: 2790-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50166817
PNG
(3-[2-Ethoxy-5-(4-ethyl-piperazine-1-sulfonyl)-phen...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3cccc(C)n23)c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C24H28N6O4S/c1-4-28-11-13-29(14-12-28)35(32,33)17-9-10-19(34-5-2)18(15-17)22-26-23-21(24(31)27-22)25-20-8-6-7-16(3)30(20)23/h6-10,15H,4-5,11-14H2,1-3H3,(H,26,27,31)
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n/an/a 204n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 6 isolated from bovine retina


Bioorg Med Chem Lett 15: 2790-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50166821
PNG
(3-[2-Ethoxy-5-(4-isopropyl-piperazine-1-sulfonyl)-...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3cccc(C)n23)c(=O)[nH]1)S(=O)(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C25H30N6O4S/c1-5-35-20-10-9-18(36(33,34)30-13-11-29(12-14-30)16(2)3)15-19(20)23-27-24-22(25(32)28-23)26-21-8-6-7-17(4)31(21)24/h6-10,15-16H,5,11-14H2,1-4H3,(H,27,28,32)
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n/an/a 275n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 6 isolated from bovine retina


Bioorg Med Chem Lett 15: 2790-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM50193569
PNG
(7-benzyl-4,9-dimethyl-2-pyridin-3-yl-7H-3,3a,5,7,8...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1cccnc1
Show InChI InChI=1S/C22H18N6O/c1-14-20-19-11-18(17-9-6-10-23-12-17)26-28(19)15(2)24-21(20)22(29)27(25-14)13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3
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n/an/a 280n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


J Med Chem 49: 5363-71 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50166822
PNG
(6-Bromo-3-[2-ethoxy-5-(4-methyl-piperazine-1-sulfo...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3ccc(Br)c(C)n23)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H25BrN6O4S/c1-4-34-18-7-5-15(35(32,33)29-11-9-28(3)10-12-29)13-16(18)21-26-22-20(23(31)27-21)25-19-8-6-17(24)14(2)30(19)22/h5-8,13H,4,9-12H2,1-3H3,(H,26,27,31)
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n/an/a 289n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 6 isolated from bovine retina


Bioorg Med Chem Lett 15: 2790-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM50193574
PNG
(7-benzyl-2-furan-3-yl-4,9-dimethyl-7H-3,3a,5,7,8-p...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccoc1
Show InChI InChI=1S/C21H17N5O2/c1-13-19-18-10-17(16-8-9-28-12-16)24-26(18)14(2)22-20(19)21(27)25(23-13)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3
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n/an/a 330n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


J Med Chem 49: 5363-71 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM50193577
PNG
(3-benzyl-1-ethoxymethyl-6-methyl-9-phenylpyrazolo[...)
Show SMILES CCOCc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O2/c1-3-32-16-21-23-22-14-20(19-12-8-5-9-13-19)28-30(22)17(2)26-24(23)25(31)29(27-21)15-18-10-6-4-7-11-18/h4-14H,3,15-16H2,1-2H3
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n/an/a 330n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


J Med Chem 49: 5363-71 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50166824
PNG
(3-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3cccc(CC)n23)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H28N6O4S/c1-4-16-7-6-8-20-25-21-23(30(16)20)26-22(27-24(21)31)18-15-17(9-10-19(18)34-5-2)35(32,33)29-13-11-28(3)12-14-29/h6-10,15H,4-5,11-14H2,1-3H3,(H,26,27,31)
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n/an/a 455n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 6 isolated from bovine retina


Bioorg Med Chem Lett 15: 2790-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50166816
PNG
(3-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3c(C)cccn23)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H26N6O4S/c1-4-33-18-8-7-16(34(31,32)28-12-10-27(3)11-13-28)14-17(18)20-25-22-19(23(30)26-20)24-21-15(2)6-5-9-29(21)22/h5-9,14H,4,10-13H2,1-3H3,(H,25,26,30)
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n/an/a 472n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 6 isolated from bovine retina


Bioorg Med Chem Lett 15: 2790-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM50193578
PNG
(7-benzyl-4-ethyl-9-methyl-2-phenyl-7H-3,3a,5,7,8-p...)
Show SMILES CCc1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C24H21N5O/c1-3-21-25-23-22(20-14-19(27-29(20)21)18-12-8-5-9-13-18)16(2)26-28(24(23)30)15-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3
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n/an/a 550n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


J Med Chem 49: 5363-71 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50165809
PNG
((E)-3-(7-Benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydr...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(\C=C\C(O)=O)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C25H19N5O3/c1-16-23-20-14-19(18-10-6-3-7-11-18)28-30(20)21(12-13-22(31)32)26-24(23)25(33)29(27-16)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,31,32)/b13-12+
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n/an/a 580n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50165816
PNG
(3-(7-Benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydro-3,...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(CCC(O)=O)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C25H21N5O3/c1-16-23-20-14-19(18-10-6-3-7-11-18)28-30(20)21(12-13-22(31)32)26-24(23)25(33)29(27-16)15-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3,(H,31,32)
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n/an/a 590n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM50193579
PNG
(7-benzyl-9-methyl-2-phenyl-4-propyl-7H-3,3a,5,7,8-...)
Show SMILES CCCc1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-3-10-22-26-24-23(21-15-20(28-30(21)22)19-13-8-5-9-14-19)17(2)27-29(25(24)31)16-18-11-6-4-7-12-18/h4-9,11-15H,3,10,16H2,1-2H3
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n/an/a 610n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


J Med Chem 49: 5363-71 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50166818
PNG
(3-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3ccc(C)cn23)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H26N6O4S/c1-4-33-18-7-6-16(34(31,32)28-11-9-27(3)10-12-28)13-17(18)21-25-22-20(23(30)26-21)24-19-8-5-15(2)14-29(19)22/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,26,30)
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n/an/a 693n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 6 isolated from bovine retina


Bioorg Med Chem Lett 15: 2790-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM50193584
PNG
(3-benzyl-1-methyl-9-phenylpyrazolo[1',5':1,6]pyrim...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C22H17N5O/c1-15-20-19-12-18(17-10-6-3-7-11-17)25-27(19)14-23-21(20)22(28)26(24-15)13-16-8-4-2-5-9-16/h2-12,14H,13H2,1H3
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n/an/a 860n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


J Med Chem 49: 5363-71 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50166819
PNG
(6-Bromo-3-[2-ethoxy-5-(4-methyl-piperazine-1-sulfo...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3ccc(Br)cn23)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H23BrN6O4S/c1-3-33-17-6-5-15(34(31,32)28-10-8-27(2)9-11-28)12-16(17)20-25-21-19(22(30)26-20)24-18-7-4-14(23)13-29(18)21/h4-7,12-13H,3,8-11H2,1-2H3,(H,25,26,30)
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n/an/a 860n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 6 isolated from bovine retina


Bioorg Med Chem Lett 15: 2790-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM50193572
PNG
(3-benzyl-1-[(dimethylamino)methyl]-6-methyl-9-phen...)
Show SMILES CN(C)Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C25H24N6O/c1-17-26-24-23(22-14-20(28-31(17)22)19-12-8-5-9-13-19)21(16-29(2)3)27-30(25(24)32)15-18-10-6-4-7-11-18/h4-14H,15-16H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


J Med Chem 49: 5363-71 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50166827
PNG
(3-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3cc(C)ccn23)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H26N6O4S/c1-4-33-18-6-5-16(34(31,32)28-11-9-27(3)10-12-28)14-17(18)21-25-22-20(23(30)26-21)24-19-13-15(2)7-8-29(19)22/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,26,30)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 6 isolated from bovine retina


Bioorg Med Chem Lett 15: 2790-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-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 2.00E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 6


J Med Chem 48: 3449-62 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50165807
PNG
(7-(4-Amino-benzyl)-4,9-dimethyl-2-phenyl-7H-3,3a,5...)
Show SMILES Cc1nn(Cc2ccc(N)cc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H20N6O/c1-14-21-20-12-19(17-6-4-3-5-7-17)27-29(20)15(2)25-22(21)23(30)28(26-14)13-16-8-10-18(24)11-9-16/h3-12H,13,24H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM50193587
PNG
(7-benzyl-4,9-dimethyl-2-thiophen-3-yl-7H-3,3a,5,7,...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccsc1
Show InChI InChI=1S/C21H17N5OS/c1-13-19-18-10-17(16-8-9-28-12-16)24-26(18)14(2)22-20(19)21(27)25(23-13)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


J Med Chem 49: 5363-71 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM50193570
PNG
(4,7,9-trimethyl-2-phenyl-7H-3,3a,5,7,8-pentaaza-cy...)
Show SMILES Cc1nn(C)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C17H15N5O/c1-10-15-14-9-13(12-7-5-4-6-8-12)20-22(14)11(2)18-16(15)17(23)21(3)19-10/h4-9H,1-3H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


J Med Chem 49: 5363-71 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50165806
PNG
(7-Benzyl-9-methyl-2,4-diphenyl-7H-3,3a,5,7,8-penta...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(-c3ccccc3)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C28H21N5O/c1-19-25-24-17-23(21-13-7-3-8-14-21)31-33(24)27(22-15-9-4-10-16-22)29-26(25)28(34)32(30-19)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Homo sapiens-Homo sapiens (Human))
BDBM50193571
PNG
(3-benzyl-9-(4-chlorophenyl)-1,6-dimethylpyrazolo[1...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClN5O/c1-14-21-20-12-19(17-8-10-18(24)11-9-17)27-29(20)15(2)25-22(21)23(30)28(26-14)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


J Med Chem 49: 5363-71 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-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 5.10E+3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6 (Phosphodiesterase 6)


J Med Chem 46: 4533-42 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50370451
PNG
(CHEMBL554480)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3ccccn23)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H24N6O4S/c1-3-32-17-8-7-15(33(30,31)27-12-10-26(2)11-13-27)14-16(17)20-24-21-19(22(29)25-20)23-18-6-4-5-9-28(18)21/h4-9,14H,3,10-13H2,1-2H3,(H,24,25,29)
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n/an/a 5.13E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 6 isolated from bovine retina


Bioorg Med Chem Lett 15: 2790-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50165815
PNG
(7-Benzyl-4,9-dimethyl-2-pyridin-2-yl-7H-3,3a,5,7,8...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccn1
Show InChI InChI=1S/C22H18N6O/c1-14-20-19-12-18(17-10-6-7-11-23-17)26-28(19)15(2)24-21(20)22(29)27(25-14)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50165821
PNG
(7-Cyclohexylmethyl-4,9-dimethyl-2-phenyl-7H-3,3a,5...)
Show SMILES Cc1nn(CC2CCCCC2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-28(20)16(2)24-22(21)23(29)27(25-15)14-17-9-5-3-6-10-17/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50165824
PNG
(7-Benzyl-9-methyl-4-phenethyl-2-phenyl-7H-3,3a,5,7...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(CCc3ccccc3)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C30H25N5O/c1-21-28-26-19-25(24-15-9-4-10-16-24)33-35(26)27(18-17-22-11-5-2-6-12-22)31-29(28)30(36)34(32-21)20-23-13-7-3-8-14-23/h2-16,19H,17-18,20H2,1H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50165820
PNG
(2-Benzo[1,3]dioxol-5-yl-7-benzyl-4,9-dimethyl-7H-3...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H19N5O3/c1-14-22-19-11-18(17-8-9-20-21(10-17)32-13-31-20)27-29(19)15(2)25-23(22)24(30)28(26-14)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
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Article
PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 6 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)

More data for this
Ligand-Target Pair