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Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with all data for entry = 50035309   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 0.220n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 0.230n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 0.290n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 0.310n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 0.380n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 0.510n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 0.520n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 1n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 1n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
BDBM50130029
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(2-pyridin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C33H32N4O7/c1-20-16-21(11-14-34-20)19-37-30(33(39)43-5)28(22-17-25(40-2)31(42-4)26(18-22)41-3)24-9-10-27(36-29(24)32(37)38)44-15-12-23-8-6-7-13-35-23/h6-11,13-14,16-18H,12,15,19H2,1-5H3
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n/an/a 1.20n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 1.80n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 1.90n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 2.30n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 2.60n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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 11n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
BDBM50130015
PNG
(8-(4-Methyl-piperazin-1-yl)-2-(2-methyl-pyridin-4-...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(N3CCN(C)CC3)c2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H35N5O6/c1-19-15-20(7-9-32-19)18-36-27(31(38)42-6)25(21-16-23(39-3)28(41-5)24(17-21)40-4)22-8-10-33-29(26(22)30(36)37)35-13-11-34(2)12-14-35/h7-10,15-17H,11-14,18H2,1-6H3
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n/an/a 94n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(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 270n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(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


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
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 450n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 4 (PDE4) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))
BDBM50130015
PNG
(8-(4-Methyl-piperazin-1-yl)-2-(2-methyl-pyridin-4-...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(N3CCN(C)CC3)c2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H35N5O6/c1-19-15-20(7-9-32-19)18-36-27(31(38)42-6)25(21-16-23(39-3)28(41-5)24(17-21)40-4)22-8-10-33-29(26(22)30(36)37)35-13-11-34(2)12-14-35/h7-10,15-17H,11-14,18H2,1-6H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
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 3.00E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
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 3.30E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 4 (PDE4) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
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 5.30E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-3 (PDE3) isolated from canine heart


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Bos taurus)
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 9.70E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-2 (PDE2) isolated from bovine adrenal gland


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(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 1.10E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 4 (PDE4) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
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 1.20E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
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 1.90E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
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 2.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
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 2.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
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 2.20E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
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 2.50E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
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>2.50E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-3 (PDE3) isolated from canine heart


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
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 3.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 4 (PDE4) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
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 3.30E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Bos taurus)
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 4.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-2 (PDE2) isolated from bovine adrenal gland


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
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 4.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
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 4.10E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung


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


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
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