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Compile Data Set for Download or QSAR

Found 68 hits of ic50 for UniProtKB: P04972   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50241303
PNG
(CHEMBL245317 | ethyl hydrogen (1-(3-(1-methyl-7-ox...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H38N5O7PS/c1-5-8-21-23-24(30(4)29-21)26(32)28-25(27-23)20-16-19(9-10-22(20)37-15-6-2)40(35,36)31-13-11-18(12-14-31)17-39(33,34)38-7-3/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,27,28,32)
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n/an/a 2.60n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2099-103 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.040
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117721
PNG
(3-Isobutyl-1-methyl-8-[5-(piperazin-1-ylmethanesul...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C25H36N6O5S/c1-6-14-36-20-9-8-18(37(34,35)30-12-10-29(7-2)11-13-30)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)28(5)24(21)32/h8-9,15,17H,6-7,10-14,16H2,1-5H3,(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50130020
PNG
(2-(2-Methyl-pyridin-4-ylmethyl)-1-oxo-8-(pyridin-2...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ccccn3)c2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C32H30N4O7/c1-19-14-20(9-12-33-19)17-36-28(32(38)42-5)26(21-15-24(39-2)29(41-4)25(16-21)40-3)23-10-13-35-30(27(23)31(36)37)43-18-22-8-6-7-11-34-22/h6-16H,17-18H2,1-5H3
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n/an/a 4.40n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117715
PNG
(3-Isobutyl-1-methyl-8-[5-(4-methyl-piperazine-1-su...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H34N6O5S/c1-6-13-35-19-8-7-17(36(33,34)29-11-9-27(4)10-12-29)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)28(5)23(20)31/h7-8,14,16H,6,9-13,15H2,1-5H3,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50130025
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyrazin-2...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cnccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-12-19(8-9-33-18)16-36-28(31(38)42-5)26(20-13-23(39-2)29(41-4)24(14-20)40-3)22-6-7-25(35-27(22)30(36)37)43-17-21-15-32-10-11-34-21/h6-15H,16-17H2,1-5H3
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n/an/a 7.70n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50130021
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyridin-2...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C32H30N4O7/c1-19-14-20(11-13-33-19)17-36-29(32(38)42-5)27(21-15-24(39-2)30(41-4)25(16-21)40-3)23-9-10-26(35-28(23)31(36)37)43-18-22-8-6-7-12-34-22/h6-16H,17-18H2,1-5H3
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n/an/a 8.60n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50130027
PNG
(8-Oxo-2-(pyridin-2-ylmethoxy)-7-pyridin-4-ylmethyl...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1ccncc1
Show InChI InChI=1S/C31H28N4O7/c1-38-23-15-20(16-24(39-2)29(23)40-3)26-22-8-9-25(42-18-21-7-5-6-12-33-21)34-27(22)30(36)35(28(26)31(37)41-4)17-19-10-13-32-14-11-19/h5-16H,17-18H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117719
PNG
(4-[3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrah...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC1)C(=O)N(C)C
Show InChI InChI=1S/C26H37N7O6S/c1-7-14-39-20-9-8-18(40(37,38)32-12-10-31(11-13-32)25(35)29(4)5)15-19(20)22-27-21-23(28-22)33(16-17(2)3)26(36)30(6)24(21)34/h8-9,15,17H,7,10-14,16H2,1-6H3,(H,27,28)
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n/an/a 14n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117711
PNG
(8-{5-[4-(2-Hydroxy-ethyl)-piperazine-1-sulfonyl]-2...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C25H36N6O6S/c1-5-14-37-20-7-6-18(38(35,36)30-10-8-29(9-11-30)12-13-32)15-19(20)22-26-21-23(27-22)31(16-17(2)3)25(34)28(4)24(21)33/h6-7,15,17,32H,5,8-14,16H2,1-4H3,(H,26,27)
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n/an/a 15n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117724
PNG
(3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrahydr...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C19H25N5O5S/c1-5-8-29-14-7-6-12(30(20,27)28)9-13(14)16-21-15-17(22-16)24(10-11(2)3)19(26)23(4)18(15)25/h6-7,9,11H,5,8,10H2,1-4H3,(H,21,22)(H2,20,27,28)
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n/an/a 16n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117734
PNG
(8-{5-[4-(2-Hydroxy-ethyl)-piperidine-1-sulfonyl]-2...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCC(CCO)CC1
Show InChI InChI=1S/C26H37N5O6S/c1-5-14-37-21-7-6-19(38(35,36)30-11-8-18(9-12-30)10-13-32)15-20(21)23-27-22-24(28-23)31(16-17(2)3)26(34)29(4)25(22)33/h6-7,15,17-18,32H,5,8-14,16H2,1-4H3,(H,27,28)
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n/an/a 17n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

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 20n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2099-103 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.040
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50130028
PNG
(7-(4-Amino-phenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C31H28N4O7/c1-38-23-15-18(16-24(39-2)29(23)40-3)26-22-12-13-25(42-17-20-7-5-6-14-33-20)34-27(22)30(36)35(28(26)31(37)41-4)21-10-8-19(32)9-11-21/h5-16H,17,32H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50366818
PNG
(CHEMBL1202833)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(NCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C32H31N5O6/c1-19-14-20(11-13-33-19)18-37-29(32(39)43-5)27(21-15-24(40-2)30(42-4)25(16-21)41-3)23-9-10-26(36-28(23)31(37)38)35-17-22-8-6-7-12-34-22/h6-16H,17-18H2,1-5H3,(H,35,36)
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n/an/a 22n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

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)


Article DOI: 10.1016/j.bmcl.2005.03.102
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 28n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50100662
PNG
(CHEMBL553371 | CHEMBL77971 | methyl 2-(4-aminophen...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-19(16-27(39-2)30(26)40-3)28-24-13-12-23(42-18-21-7-5-6-14-34-21)17-25(24)31(36)35(29(28)32(37)41-4)22-10-8-20(33)9-11-22/h5-17H,18,33H2,1-4H3
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n/an/a 28n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117718
PNG
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1
Show InChI InChI=1S/C27H41N7O5S/c1-7-16-39-22-9-8-20(40(37,38)33-14-12-32(13-15-33)11-10-30(4)5)17-21(22)24-28-23-25(29-24)34(18-19(2)3)27(36)31(6)26(23)35/h8-9,17,19H,7,10-16,18H2,1-6H3,(H,28,29)
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n/an/a 37n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50130019
PNG
(8-Oxo-2-(pyridin-2-ylmethoxy)-7-pyridin-3-ylmethyl...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1cccnc1
Show InChI InChI=1S/C31H28N4O7/c1-38-23-14-20(15-24(39-2)29(23)40-3)26-22-10-11-25(42-18-21-9-5-6-13-33-21)34-27(22)30(36)35(28(26)31(37)41-4)17-19-8-7-12-32-16-19/h5-16H,17-18H2,1-4H3
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n/an/a 38n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

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)


Article DOI: 10.1016/j.bmcl.2005.02.090
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50130026
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyrimidin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-13-19(9-12-32-18)16-36-28(31(38)42-5)26(20-14-22(39-2)29(41-4)23(15-20)40-3)21-7-8-25(35-27(21)30(36)37)43-17-24-33-10-6-11-34-24/h6-15H,16-17H2,1-5H3
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n/an/a 42n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50130017
PNG
(2-(2-Methyl-pyridin-4-ylmethyl)-1-oxo-8-(pyrimidin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ncccn3)c2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-13-19(7-11-32-18)16-36-27(31(38)42-5)25(20-14-22(39-2)28(41-4)23(15-20)40-3)21-8-12-35-29(26(21)30(36)37)43-17-24-33-9-6-10-34-24/h6-15H,16-17H2,1-5H3
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n/an/a 56n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

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)


Article DOI: 10.1016/j.bmcl.2005.02.090
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117736
PNG
(8-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-su...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C24H34N6O6S/c1-5-36-19-7-6-17(37(34,35)29-10-8-28(9-11-29)12-13-31)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(33)27(4)23(20)32/h6-7,14,16,31H,5,8-13,15H2,1-4H3,(H,25,26)
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n/an/a 68n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50130024
PNG
(2-(2-Methyl-pyridin-4-ylmethyl)-1-oxo-8-(2-pyridin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCCc3ccccn3)c2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C33H32N4O7/c1-20-16-21(9-13-34-20)19-37-29(33(39)43-5)27(22-17-25(40-2)30(42-4)26(18-22)41-3)24-10-14-36-31(28(24)32(37)38)44-15-11-23-8-6-7-12-35-23/h6-10,12-14,16-18H,11,15,19H2,1-5H3
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n/an/a 72n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117723
PNG
(8-(2-Isobutoxy-phenyl)-3-isobutyl-1-methyl-3,7-dih...)
Show SMILES CC(C)COc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C20H26N4O3/c1-12(2)10-24-18-16(19(25)23(5)20(24)26)21-17(22-18)14-8-6-7-9-15(14)27-11-13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H,21,22)
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n/an/a 73n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

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)


Article DOI: 10.1021/jm0300577
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117732
PNG
(3-Isobutyl-8-[2-isopropoxy-5-(4-methyl-piperazine-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cc(ccc1OC(C)C)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H34N6O5S/c1-15(2)14-30-22-20(23(31)28(6)24(30)32)25-21(26-22)18-13-17(7-8-19(18)35-16(3)4)36(33,34)29-11-9-27(5)10-12-29/h7-8,13,15-16H,9-12,14H2,1-6H3,(H,25,26)
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n/an/a 77n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117707
PNG
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)CC)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H34N6O5S/c1-6-16(3)15-30-22-20(23(31)28(5)24(30)32)25-21(26-22)18-14-17(8-9-19(18)35-7-2)36(33,34)29-12-10-27(4)11-13-29/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26)
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n/an/a 83n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117731
PNG
(3-Isobutyl-1-methyl-8-(2-propoxy-phenyl)-3,7-dihyd...)
Show SMILES CCCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C19H24N4O3/c1-5-10-26-14-9-7-6-8-13(14)16-20-15-17(21-16)23(11-12(2)3)19(25)22(4)18(15)24/h6-9,12H,5,10-11H2,1-4H3,(H,20,21)
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n/an/a 87n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117729
PNG
(3-Isobutyl-8-{5-[4-(2-methoxy-ethyl)-piperazine-1-...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCOC)CC1
Show InChI InChI=1S/C26H38N6O6S/c1-6-14-38-21-8-7-19(39(35,36)31-11-9-30(10-12-31)13-15-37-5)16-20(21)23-27-22-24(28-23)32(17-18(2)3)26(34)29(4)25(22)33/h7-8,16,18H,6,9-15,17H2,1-5H3,(H,27,28)
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n/an/a 91n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117701
PNG
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H32N6O5S/c1-6-34-18-8-7-16(35(32,33)28-11-9-26(4)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15(2)3)23(31)27(5)22(19)30/h7-8,13,15H,6,9-12,14H2,1-5H3,(H,24,25)
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n/an/a 100n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117705
PNG
(8-[2-Isobutoxy-5-(4-methyl-piperazine-1-sulfonyl)-...)
Show SMILES CC(C)COc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C25H36N6O5S/c1-16(2)14-31-23-21(24(32)29(6)25(31)33)26-22(27-23)19-13-18(7-8-20(19)36-15-17(3)4)37(34,35)30-11-9-28(5)10-12-30/h7-8,13,16-17H,9-12,14-15H2,1-6H3,(H,26,27)
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n/an/a 102n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

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)


Article DOI: 10.1016/j.bmcl.2005.02.090
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117716
PNG
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1
Show InChI InChI=1S/C26H39N7O5S/c1-7-38-21-9-8-19(39(36,37)32-14-12-31(13-15-32)11-10-29(4)5)16-20(21)23-27-22-24(28-23)33(17-18(2)3)26(35)30(6)25(22)34/h8-9,16,18H,7,10-15,17H2,1-6H3,(H,27,28)
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n/an/a 146n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

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)


Article DOI: 10.1016/j.bmcl.2005.03.102
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117708
PNG
(8-[2-Ethoxy-5-(piperazin-1-ylmethanesulfonyl)-phen...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C24H34N6O5S/c1-6-28-10-12-29(13-11-28)36(33,34)17-8-9-19(35-7-2)18(14-17)21-25-20-22(26-21)30(15-16(3)4)24(32)27(5)23(20)31/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26)
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n/an/a 203n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

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)


Article DOI: 10.1016/j.bmcl.2005.03.102
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117717
PNG
(3-Isobutyl-8-(2-isopropoxy-phenyl)-1-methyl-3,7-di...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1OC(C)C
Show InChI InChI=1S/C19H24N4O3/c1-11(2)10-23-17-15(18(24)22(5)19(23)25)20-16(21-17)13-8-6-7-9-14(13)26-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,20,21)
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n/an/a 214n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117704
PNG
(3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-pipera...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25)
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n/an/a 217n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117725
PNG
(8-(2-Ethoxy-phenyl)-3-isobutyl-1-methyl-3,7-dihydr...)
Show SMILES CCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C18H22N4O3/c1-5-25-13-9-7-6-8-12(13)15-19-14-16(20-15)22(10-11(2)3)18(24)21(4)17(14)23/h6-9,11H,5,10H2,1-4H3,(H,19,20)
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n/an/a 227n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50130018
PNG
(8-Oxo-2-(pyridin-2-ylmethoxy)-7-pyridin-2-ylmethyl...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1ccccn1
Show InChI InChI=1S/C31H28N4O7/c1-38-23-15-19(16-24(39-2)29(23)40-3)26-22-11-12-25(42-18-21-10-6-8-14-33-21)34-27(22)30(36)35(28(26)31(37)41-4)17-20-9-5-7-13-32-20/h5-16H,17-18H2,1-4H3
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n/an/a 230n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117714
PNG
(CHEMBL90164 | N-(2-Dimethylamino-ethyl)-N-ethyl-3-...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N(CC)CCN(C)C
Show InChI InChI=1S/C25H38N6O5S/c1-8-14-36-20-11-10-18(37(34,35)30(9-2)13-12-28(5)6)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)29(7)24(21)32/h10-11,15,17H,8-9,12-14,16H2,1-7H3,(H,26,27)
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n/an/a 242n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

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)


Article DOI: 10.1016/j.bmcl.2005.03.102
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50130016
PNG
(8-(2-Hydroxy-ethylamino)-2-(2-methyl-pyridin-4-ylm...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(NCCO)c2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C28H30N4O7/c1-16-12-17(6-8-29-16)15-32-24(28(35)39-5)22(18-13-20(36-2)25(38-4)21(14-18)37-3)19-7-9-30-26(31-10-11-33)23(19)27(32)34/h6-9,12-14,33H,10-11,15H2,1-5H3,(H,30,31)
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n/an/a 280n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2341-5 (2003)

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)


Article DOI: 10.1016/j.bmcl.2005.03.102
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117702
PNG
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O5S/c1-5-9-28-20-18(21(29)26(4)22(28)30)23-19(24-20)16-14-15(7-8-17(16)33-6-2)34(31,32)27-12-10-25(3)11-13-27/h7-8,14H,5-6,9-13H2,1-4H3,(H,23,24)
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n/an/a 345n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117709
PNG
(8-(2-Butoxy-phenyl)-3-isobutyl-1-methyl-3,7-dihydr...)
Show SMILES CCCCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C20H26N4O3/c1-5-6-11-27-15-10-8-7-9-14(15)17-21-16-18(22-17)24(12-13(2)3)20(26)23(4)19(16)25/h7-10,13H,5-6,11-12H2,1-4H3,(H,21,22)
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n/an/a 436n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)

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)


Article DOI: 10.1016/j.bmcl.2005.03.102
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)


Article DOI: 10.1016/j.bmcl.2005.03.102
More data for this
Ligand-Target Pair
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