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Compile Data Set for Download or QSAR

Found 37 hits of ic50 for UniProtKB: P11541   
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
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM235735
PNG
(US9359371, 3)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)NCc2ccccc2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1S/C25H26ClN5O2/c1-33-22-8-7-17(9-21(22)26)12-27-23-20(24(32)28-11-16-5-3-2-4-6-16)13-29-25(30-23)31-14-18-10-19(18)15-31/h2-9,13,18-19H,10-12,14-15H2,1H3,(H,28,32)(H,27,29,30)
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n/an/a 8.89n/an/an/an/a7.5n/a



XUANZHU PHARMA CO., LTD.

US Patent


Assay Description
Method: The test compound or solvent was incubated at 25° C. for 15 min with enzyme solution (0.2 μg/mL) in Tris-HCl buffer of pH 7.5. 100 μ...


US Patent US9359371 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM235755
PNG
(US9359371, 38)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)N[C@H]2CC[C@H](O)CC2)N2CCC3(CC3)C2)cc1Cl |r,wU:17.17,wD:20.21,(-9.38,-3.88,;-8.05,-4.65,;-6.72,-3.88,;-5.33,-4.62,;-4,-3.85,;-4,-2.31,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;,-0,;1.33,.77,;2.67,-0,;2.67,-1.54,;1.33,-2.31,;1.33,-3.85,;,-4.62,;2.67,-4.62,;4,-3.85,;4,-2.31,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;6.67,-3.85,;5.33,-4.62,;1.33,2.31,;.09,3.21,;.56,4.68,;2.1,4.68,;3.59,5.07,;2.5,6.16,;2.58,3.21,;-5.33,-1.54,;-6.67,-2.31,;-8,-1.54,)|
Show InChI InChI=1S/C25H32ClN5O3/c1-34-21-7-2-16(12-20(21)26)13-27-22-19(23(33)29-17-3-5-18(32)6-4-17)14-28-24(30-22)31-11-10-25(15-31)8-9-25/h2,7,12,14,17-18,32H,3-6,8-11,13,15H2,1H3,(H,29,33)(H,27,28,30)/t17-,18-
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n/an/a 58n/an/an/an/a7.5n/a



XUANZHU PHARMA CO., LTD.

US Patent


Assay Description
Method: The test compound or solvent was incubated at 25° C. for 15 min with enzyme solution (0.2 μg/mL) in Tris-HCl buffer of pH 7.5. 100 μ...


US Patent US9359371 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM235742
PNG
(US9359371, 11)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)N[C@H]2CC[C@H](O)CC2)N2CC3CC3C2)cc1Cl |r,wU:17.17,wD:20.21,(-9.38,-3.8,;-8.05,-4.57,;-6.72,-3.8,;-5.33,-4.55,;-4,-3.78,;-4,-2.24,;-2.67,-1.47,;-1.33,-2.24,;,-1.47,;,.07,;1.33,.84,;2.67,.07,;2.67,-1.47,;1.33,-2.24,;1.33,-3.78,;,-4.55,;2.67,-4.55,;4,-3.78,;4,-2.24,;5.33,-1.47,;6.67,-2.24,;8,-1.47,;6.67,-3.78,;5.33,-4.55,;1.33,2.38,;2.58,3.29,;2.1,4.75,;1.33,6.09,;.56,4.75,;.09,3.29,;-5.33,-1.47,;-6.67,-2.24,;-8,-1.47,)|
Show InChI InChI=1S/C24H30ClN5O3/c1-33-21-7-2-14(8-20(21)25)10-26-22-19(23(32)28-17-3-5-18(31)6-4-17)11-27-24(29-22)30-12-15-9-16(15)13-30/h2,7-8,11,15-18,31H,3-6,9-10,12-13H2,1H3,(H,28,32)(H,26,27,29)/t15?,16?,17-,18-
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n/an/a 61n/an/an/an/a7.5n/a



XUANZHU PHARMA CO., LTD.

US Patent


Assay Description
Method: The test compound or solvent was incubated at 25° C. for 15 min with enzyme solution (0.2 μg/mL) in Tris-HCl buffer of pH 7.5. 100 μ...


US Patent US9359371 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 140n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


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


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


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



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


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


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50272569
PNG
(CHEMBL4128481)
Show SMILES COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |r|
Show InChI InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
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n/an/a>142n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6A using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 61: 4635-4640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00374
BindingDB Entry DOI: 10.7270/Q2J67KDQ
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM235762
PNG
(US9359371, 46)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)NCCN2CCN(C)CC2)N2CCC3(CC3)C2)cc1Cl
Show InChI InChI=1S/C26H36ClN7O2/c1-32-11-13-33(14-12-32)10-8-28-24(35)20-17-30-25(34-9-7-26(18-34)5-6-26)31-23(20)29-16-19-3-4-22(36-2)21(27)15-19/h3-4,15,17H,5-14,16,18H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a 310n/an/an/an/a7.5n/a



XUANZHU PHARMA CO., LTD.

US Patent


Assay Description
Method: The test compound or solvent was incubated at 25° C. for 15 min with enzyme solution (0.2 μg/mL) in Tris-HCl buffer of pH 7.5. 100 μ...


US Patent US9359371 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


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



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


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


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


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



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


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


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50246252
PNG
(CHEMBL521075 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C22H25ClN4O4/c1-4-19(29)27-17-10-15-20(14(7-8-28)21(17)31-3)25-12-26-22(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,4,7-8,11H2,1-3H3,(H,27,29)(H,24,25,26)
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n/an/a 460n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


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


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357870
PNG
(CHEMBL1916130)
Show SMILES COc1cc(cc2c1nc(C)c1c(C)nc(-c3ccncc3C)n21)C(F)(F)F
Show InChI InChI=1S/C20H17F3N4O/c1-10-9-24-6-5-14(10)19-26-12(3)18-11(2)25-17-15(27(18)19)7-13(20(21,22)23)8-16(17)28-4/h5-9H,1-4H3
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n/an/a>500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50304787
PNG
(CHEMBL596489 | ethyl 4-(3-chloro-4-methoxybenzylam...)
Show SMILES CCOC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C22H25ClN4O5/c1-4-32-22(29)27-17-10-15-19(14(7-8-28)20(17)31-3)25-12-26-21(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,4,7-8,11H2,1-3H3,(H,27,29)(H,24,25,26)
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n/an/a 600n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


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


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM235765
PNG
(US9359371, 50)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)N[C@H]2CC[C@H](O)CC2)N2CC3CC3C2)cc1C |r,wU:17.17,wD:20.21,(-9.38,-3.8,;-8.05,-4.57,;-6.72,-3.8,;-5.33,-4.55,;-4,-3.78,;-4,-2.24,;-2.67,-1.47,;-1.33,-2.24,;,-1.47,;,.07,;1.33,.84,;2.67,.07,;2.67,-1.47,;1.33,-2.24,;1.33,-3.78,;,-4.55,;2.67,-4.55,;4,-3.78,;4,-2.24,;5.33,-1.47,;6.67,-2.24,;8,-1.47,;6.67,-3.78,;5.33,-4.55,;1.33,2.38,;2.58,3.29,;2.1,4.75,;1.33,6.09,;.56,4.75,;.09,3.29,;-5.33,-1.47,;-6.67,-2.24,;-8,-1.47,)|
Show InChI InChI=1S/C25H33N5O3/c1-15-9-16(3-8-22(15)33-2)11-26-23-21(24(32)28-19-4-6-20(31)7-5-19)12-27-25(29-23)30-13-17-10-18(17)14-30/h3,8-9,12,17-20,31H,4-7,10-11,13-14H2,1-2H3,(H,28,32)(H,26,27,29)/t17?,18?,19-,20-
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n/an/a 660n/an/an/an/a7.5n/a



XUANZHU PHARMA CO., LTD.

US Patent


Assay Description
Method: The test compound or solvent was incubated at 25° C. for 15 min with enzyme solution (0.2 μg/mL) in Tris-HCl buffer of pH 7.5. 100 μ...


US Patent US9359371 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50304786
PNG
(CHEMBL603422 | methyl 4-(3-chloro-4-methoxybenzyla...)
Show SMILES COC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C21H23ClN4O5/c1-29-17-5-4-12(8-15(17)22)10-23-20-14-9-16(26-21(28)31-3)19(30-2)13(6-7-27)18(14)24-11-25-20/h4-5,8-9,11,27H,6-7,10H2,1-3H3,(H,26,28)(H,23,24,25)
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n/an/a 710n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


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


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357871
PNG
(CHEMBL1916131)
Show SMILES COc1cc(Cl)c2nc(C)c3c(C)nc(-c4ccncc4C)n3c2c1
Show InChI InChI=1S/C19H17ClN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(20)7-13(25-4)8-16(17)24(18)19/h5-9H,1-4H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357826
PNG
(CHEMBL1915892)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4ccc(F)cc4Cl)n3c2n1
Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-10(2)22-17(12-5-4-11(20)8-13(12)19)24(16)18-14(21-9)6-7-15(23-18)25-3/h4-8H,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357825
PNG
(CHEMBL1915891)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cc(Cl)ccc4Cl)n3c2n1
Show InChI InChI=1S/C18H14Cl2N4O/c1-9-16-10(2)22-17(12-8-11(19)4-5-13(12)20)24(16)18-14(21-9)6-7-15(23-18)25-3/h4-8H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50319165
PNG
(2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrid...)
Show SMILES CCCc1nc(C)c2c(C)nc3ccc(OC)nc3n12
Show InChI InChI=1S/C15H18N4O/c1-5-6-12-17-10(3)14-9(2)16-11-7-8-13(20-4)18-15(11)19(12)14/h7-8H,5-6H2,1-4H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50304791
PNG
(CHEMBL592986 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(cc23)N(C)C(=O)C(C)C)cc1Cl
Show InChI InChI=1S/C24H29ClN4O4/c1-14(2)24(31)29(3)19-11-17-21(16(8-9-30)22(19)33-5)27-13-28-23(17)26-12-15-6-7-20(32-4)18(25)10-15/h6-7,10-11,13-14,30H,8-9,12H2,1-5H3,(H,26,27,28)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


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


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM235764
PNG
(US9359371, 48)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)N[C@H]2CC[C@H](O)CC2)N2CC3CC3C2)cc1F |r,wU:17.17,wD:20.21,(-9.38,-3.8,;-8.05,-4.57,;-6.72,-3.8,;-5.33,-4.55,;-4,-3.78,;-4,-2.24,;-2.67,-1.47,;-1.33,-2.24,;,-1.47,;,.07,;1.33,.84,;2.67,.07,;2.67,-1.47,;1.33,-2.24,;1.33,-3.78,;,-4.55,;2.67,-4.55,;4,-3.78,;4,-2.24,;5.33,-1.47,;6.67,-2.24,;8,-1.47,;6.67,-3.78,;5.33,-4.55,;1.33,2.38,;2.58,3.29,;2.1,4.75,;1.33,6.09,;.56,4.75,;.09,3.29,;-5.33,-1.47,;-6.67,-2.24,;-8,-1.47,)|
Show InChI InChI=1S/C24H30FN5O3/c1-33-21-7-2-14(8-20(21)25)10-26-22-19(23(32)28-17-3-5-18(31)6-4-17)11-27-24(29-22)30-12-15-9-16(15)13-30/h2,7-8,11,15-18,31H,3-6,9-10,12-13H2,1H3,(H,28,32)(H,26,27,29)/t15?,16?,17-,18-
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US Patent
n/an/a 1.11E+3n/an/an/an/a7.5n/a



XUANZHU PHARMA CO., LTD.

US Patent


Assay Description
Method: The test compound or solvent was incubated at 25° C. for 15 min with enzyme solution (0.2 μg/mL) in Tris-HCl buffer of pH 7.5. 100 μ...


US Patent US9359371 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357828
PNG
(CHEMBL1915912)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4sc(C)nc4C)n3c2n1
Show InChI InChI=1S/C17H17N5OS/c1-8-14-9(2)20-17(15-10(3)18-11(4)24-15)22(14)16-12(19-8)6-7-13(21-16)23-5/h6-7H,1-5H3
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n/an/a 1.33E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357832
PNG
(CHEMBL1916091)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1
Show InChI InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
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n/an/a 1.63E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357816
PNG
(CHEMBL1915906)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4sccc4C)n3c2n1
Show InChI InChI=1S/C17H16N4OS/c1-9-7-8-23-15(9)17-19-11(3)14-10(2)18-12-5-6-13(22-4)20-16(12)21(14)17/h5-8H,1-4H3
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n/an/a 1.78E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357806
PNG
(CHEMBL1915896)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4cccc(c4)C(N)=O)n3c2n1
Show InChI InChI=1S/C19H17N5O2/c1-10-16-11(2)22-18(13-6-4-5-12(9-13)17(20)25)24(16)19-14(21-10)7-8-15(23-19)26-3/h4-9H,1-3H3,(H2,20,25)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357865
PNG
(CHEMBL1916125)
Show SMILES COc1cc(OC)c2nc(C)c3c(C)nc(-c4cccnc4C)n3c2c1
Show InChI InChI=1S/C20H20N4O2/c1-11-15(7-6-8-21-11)20-23-13(3)19-12(2)22-18-16(24(19)20)9-14(25-4)10-17(18)26-5/h6-10H,1-5H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM253042
PNG
(US9493447, 1001)
Show SMILES CCOC(C(=O)c1ccc(o1)-c1cc(OC)c(Cl)c(OC)c1)c1ccc(cc1)-c1nnc(C)s1
Show InChI InChI=1S/C25H23ClN2O5S/c1-5-32-24(15-6-8-16(9-7-15)25-28-27-14(2)34-25)23(29)19-11-10-18(33-19)17-12-20(30-3)22(26)21(13-17)31-4/h6-13,24H,5H2,1-4H3
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US Patent
n/an/a>3.00E+3n/an/an/an/a7.530



Omeros Corporation

US Patent


Assay Description
The PDE assay medium consisted of (final concentrations); 50 mM Tris-HCL, pH 7.5; 8.3 mM MgCl2; 1.7 mM EGTA; 0.5 mg/mL bovine serum albumin; and subs...


US Patent US9493447 (2016)


BindingDB Entry DOI: 10.7270/Q2SB44PB
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


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


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357822
PNG
(CHEMBL1915888)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4ccccc4C)n3c2n1
Show InChI InChI=1S/C19H18N4O/c1-11-7-5-6-8-14(11)18-21-13(3)17-12(2)20-15-9-10-16(24-4)22-19(15)23(17)18/h5-10H,1-4H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357864
PNG
(CHEMBL1916124)
Show SMILES COc1cc(OC)c2nc(C)c3c(C)nc(-c4ccncc4C)n3c2c1
Show InChI InChI=1S/C20H20N4O2/c1-11-10-21-7-6-15(11)20-23-13(3)19-12(2)22-18-16(24(19)20)8-14(25-4)9-17(18)26-5/h6-10H,1-5H3
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n/an/a 3.44E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357863
PNG
(CHEMBL1916123)
Show SMILES COc1cc(OC)c2nc(C)c3c(C)nc(-c4cnccc4C)n3c2c1
Show InChI InChI=1S/C20H20N4O2/c1-11-6-7-21-10-15(11)20-23-13(3)19-12(2)22-18-16(24(19)20)8-14(25-4)9-17(18)26-5/h6-10H,1-5H3
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n/an/a 3.57E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357849
PNG
(CHEMBL1916108)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1ccc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H15F3N4/c1-10-9-23-7-6-14(10)18-25-12(3)17-11(2)24-15-5-4-13(19(20,21)22)8-16(15)26(17)18/h4-9H,1-3H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357803
PNG
(CHEMBL1916113)
Show SMILES COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccncc3C)n21
Show InChI InChI=1S/C19H17FN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(24(18)19)7-13(20)8-16(17)25-4/h5-9H,1-4H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


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



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


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


Article DOI: 10.1016/j.bmcl.2009.10.071
BindingDB Entry DOI: 10.7270/Q28P60KW
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357847
PNG
(CHEMBL1916106)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1ccc(OC(F)(F)F)cc21
Show InChI InChI=1S/C19H15F3N4O/c1-10-9-23-7-6-14(10)18-25-12(3)17-11(2)24-15-5-4-13(27-19(20,21)22)8-16(15)26(17)18/h4-9H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357820
PNG
(CHEMBL1915910)
Show SMILES COc1ccc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2n1 |(6.95,-22.59,;8.28,-23.36,;9.62,-22.59,;9.62,-21.05,;10.95,-20.28,;12.28,-21.04,;13.62,-20.25,;14.97,-21.03,;16.3,-20.25,;14.98,-22.58,;16.13,-23.63,;17.64,-23.31,;15.5,-25.05,;13.95,-24.89,;13.06,-26.14,;13.54,-27.6,;15.01,-28.07,;12.31,-28.52,;11.05,-27.62,;9.59,-28.11,;11.52,-26.15,;10.6,-24.92,;13.63,-23.36,;12.29,-22.59,;10.95,-23.36,)|
Show InChI InChI=1S/C18H20N6O/c1-9-15(12(4)23(5)22-9)18-20-11(3)16-10(2)19-13-7-8-14(25-6)21-17(13)24(16)18/h7-8H,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha


(Bos taurus (Bovine))
BDBM50357854
PNG
(CHEMBL1916114)
Show SMILES COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3cccnc3C)n21
Show InChI InChI=1S/C19H17FN4O/c1-10-14(6-5-7-21-10)19-23-12(3)18-11(2)22-17-15(24(18)19)8-13(20)9-16(17)25-4/h5-9H,1-4H3
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n/an/a 1.37E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair