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Compile Data Set for Download or QSAR

Found 2657 hits of ic50 data for polymerid = 50006512,5066   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316640
PNG
(5-(4-(aminomethyl)piperidin-1-yl)-1-(2-ethoxyethyl...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CN)CC1
Show InChI InChI=1S/C23H34N8O/c1-4-18-20-21(31(29-18)12-13-32-5-2)22(26-19-14-16(3)6-9-25-19)28-23(27-20)30-10-7-17(15-24)8-11-30/h6,9,14,17H,4-5,7-8,10-13,15,24H2,1-3H3,(H,25,26,27,28)
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n/an/a 0.00700n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50357238
PNG
(CHEMBL1916488)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCC(CC1)C(O)=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H28N6O5/c1-3-11-34-12-10-29-18-13-17(16-4-5-19(33-2)24-14-16)26-27-20(18)21(25-23(29)32)28-8-6-15(7-9-28)22(30)31/h4-5,13-15H,3,6-12H2,1-2H3,(H,30,31)
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316638
PNG
(1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl...)
Show SMILES CCOCCn1nc(CC)c2nc(NCC3CCNCC3)nc(Nc3cc(C)ccn3)c12
Show InChI InChI=1S/C23H34N8O/c1-4-18-20-21(31(30-18)12-13-32-5-2)22(27-19-14-16(3)6-11-25-19)29-23(28-20)26-15-17-7-9-24-10-8-17/h6,11,14,17,24H,4-5,7-10,12-13,15H2,1-3H3,(H2,25,26,27,28,29)
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50357243
PNG
(CHEMBL1916483)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCCC(C2)C(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-10-35-11-9-30-19-13-18(16-7-8-20(34-2)25-14-16)28-29-21(19)22(27-24(30)33)26-17-6-4-5-15(12-17)23(31)32/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,31,32)(H,26,27,33)
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50357234
PNG
(CHEMBL1916475)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 |(22.74,-11.54,;21.41,-12.31,;20.07,-11.54,;18.74,-12.31,;18.74,-13.85,;17.41,-14.62,;17.41,-16.16,;18.74,-16.94,;20.06,-16.18,;21.39,-16.94,;21.39,-18.48,;20.06,-19.25,;18.73,-18.48,;17.41,-19.24,;17.41,-20.78,;16.08,-21.56,;14.75,-20.78,;13.42,-21.54,;13.41,-23.08,;12.08,-23.85,;14.75,-23.86,;16.09,-23.09,;16.08,-18.48,;16.08,-16.94,;14.74,-16.18,;22.71,-16.16,;22.71,-14.63,;24.03,-13.85,;25.38,-14.61,;26.71,-13.84,;28.04,-14.6,;25.38,-16.16,;24.05,-16.93,)|
Show InChI InChI=1S/C23H30N6O4/c1-3-11-33-12-10-29-19-13-18(15-4-9-20(32-2)24-14-15)27-28-21(19)22(26-23(29)31)25-16-5-7-17(30)8-6-16/h4,9,13-14,16-17,30H,3,5-8,10-12H2,1-2H3,(H,25,26,31)
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n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50357240
PNG
(CHEMBL1916486)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCC(CC2)C(O)=O)nc1=O)-c1ccc(OC)nc1 |(2.15,6.01,;.82,5.24,;-.51,6.01,;-1.85,5.24,;-1.85,3.69,;-3.18,2.92,;-3.18,1.38,;-1.85,.61,;-.53,1.37,;.8,.61,;.8,-.93,;-.53,-1.7,;-1.86,-.93,;-3.18,-1.7,;-3.18,-3.24,;-4.51,-4.01,;-5.85,-3.24,;-7.18,-4,;-7.18,-5.54,;-5.85,-6.32,;-4.51,-5.55,;-8.52,-6.31,;-9.85,-5.54,;-8.52,-7.85,;-4.51,-.93,;-4.51,.61,;-5.85,1.37,;2.12,1.39,;2.12,2.92,;3.44,3.7,;4.79,2.93,;6.12,3.71,;7.45,2.95,;4.79,1.39,;3.46,.62,)|
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-13-18(16-6-9-20(34-2)25-14-16)28-29-21(19)22(27-24(30)33)26-17-7-4-15(5-8-17)23(31)32/h6,9,13-15,17H,3-5,7-8,10-12H2,1-2H3,(H,31,32)(H,26,27,33)
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n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50357241
PNG
(CHEMBL1916485)
Show SMILES CCCOCCn1c2cc(nnc2c(N[C@@H]2CCCC[C@@H]2C(O)=O)nc1=O)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-13-18(15-8-9-20(34-2)25-14-15)28-29-21(19)22(27-24(30)33)26-17-7-5-4-6-16(17)23(31)32/h8-9,13-14,16-17H,3-7,10-12H2,1-2H3,(H,31,32)(H,26,27,33)/t16-,17+/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50556029
PNG
(CHEMBL4759667)
Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCS(=N)(=O)CC1
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n/an/a 0.0250n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human platelets derived PDE5 using [3H]-cGMP as substrate incubated for 60 min by scintillation proximity assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00960
BindingDB Entry DOI: 10.7270/Q29W0K46
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM150179
PNG
(US8980904, 4)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccccn2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1S/C24H24ClN5O3/c1-32-21-6-5-15(8-20(21)25)14-33-23-19(22(31)27-10-18-4-2-3-7-26-18)11-28-24(29-23)30-12-16-9-17(16)13-30/h2-8,11,16-17H,9-10,12-14H2,1H3,(H,27,31)
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US Patent
n/an/a 0.0280n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...

US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50088373
PNG
(CHEBI:46295 | Vardenafil | cid_110634)
Show SMILES CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
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n/an/a 0.0290n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human platelets derived PDE5 using [3H]-cGMP as substrate incubated for 60 min by scintillation proximity assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00960
BindingDB Entry DOI: 10.7270/Q29W0K46
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50123474
PNG
(1-[9-(3-Chloro-4-methoxy-benzylamino)-3-ethyl-3H-2...)
Show SMILES CCn1ncc2c1ncc1c(nnc(NCc3ccc(OC)c(Cl)c3)c21)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C24H26ClN7O3/c1-3-32-22-17(13-28-32)20-16(12-27-22)23(31-8-6-15(7-9-31)24(33)34)30-29-21(20)26-11-14-4-5-19(35-2)18(25)10-14/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3,(H,26,29)(H,33,34)
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n/an/a 0.0300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from human platelets

J Med Chem 46: 457-60 (2003)


Article DOI: 10.1021/jm0256068
BindingDB Entry DOI: 10.7270/Q2125S1G
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50300970
PNG
(7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(py...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCc2ccccn2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H26N6O3/c1-3-11-33-12-10-30-21-13-19(17-7-8-22(32-2)27-14-17)26-16-20(21)29-23(24(30)31)28-15-18-6-4-5-9-25-18/h4-9,13-14,16H,3,10-12,15H2,1-2H3,(H,28,29)
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n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50357239
PNG
(CHEMBL1916487)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCC(CC(O)=O)CC1)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-14-18(17-4-5-20(34-2)25-15-17)27-28-22(19)23(26-24(30)33)29-8-6-16(7-9-29)13-21(31)32/h4-5,14-16H,3,6-13H2,1-2H3,(H,31,32)
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n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316647
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C23H31N7O3/c1-4-17-19-20(30(28-17)12-13-33-5-2)21(25-18-14-15(3)6-9-24-18)27-23(26-19)29-10-7-16(8-11-29)22(31)32/h6,9,14,16H,4-5,7-8,10-13H2,1-3H3,(H,31,32)(H,24,25,26,27)
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n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50357250
PNG
(CHEMBL1916476)
Show SMILES COc1ccc(cn1)-c1cc2n(CCOCC(F)(F)F)c(=O)nc(NC3CCC(O)CC3)c2nn1 |(6.09,-33.21,;4.75,-32.45,;3.42,-33.22,;2.07,-32.46,;.75,-33.24,;.75,-34.77,;2.09,-35.54,;3.42,-34.77,;-.57,-35.55,;-1.9,-34.79,;-3.22,-35.55,;-4.55,-34.77,;-4.55,-33.23,;-3.22,-32.46,;-3.22,-30.92,;-1.88,-30.15,;-.55,-30.92,;-.55,-32.46,;.78,-30.15,;.78,-31.69,;-5.88,-35.55,;-7.22,-34.79,;-5.88,-37.09,;-4.55,-37.85,;-4.55,-39.4,;-5.88,-40.17,;-7.21,-39.39,;-8.54,-40.16,;-8.55,-41.7,;-9.88,-42.46,;-7.21,-42.47,;-5.87,-41.7,;-3.23,-37.09,;-1.9,-37.86,;-.57,-37.09,)|
Show InChI InChI=1S/C22H25F3N6O4/c1-34-18-7-2-13(11-26-18)16-10-17-19(30-29-16)20(27-14-3-5-15(32)6-4-14)28-21(33)31(17)8-9-35-12-22(23,24)25/h2,7,10-11,14-15,32H,3-6,8-9,12H2,1H3,(H,27,28,33)
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n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50241831
PNG
(CHEMBL4062273 | US10626113, Compound M | US1089975...)
Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl
Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)
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n/an/a 0.0440n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2KH0SFD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50241831
PNG
(CHEMBL4062273 | US10626113, Compound M | US1089975...)
Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl
Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)
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US Patent
n/an/a 0.0440n/an/an/an/an/an/a



The Trustees of Columbia University in the City of New York

US Patent


Assay Description
A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...

US Patent US10899756 (2021)


BindingDB Entry DOI: 10.7270/Q2RN3C0P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50300964
PNG
(CHEMBL584270 | rac-7-(6-methoxypyridin-3-yl)-1-(2-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC2CCCO2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H29N5O4/c1-3-9-31-11-8-28-20-12-18(16-6-7-21(30-2)25-13-16)24-15-19(20)27-22(23(28)29)26-14-17-5-4-10-32-17/h6-7,12-13,15,17H,3-5,8-11,14H2,1-2H3,(H,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50300953
PNG
(3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxyp...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N[C@H]2CC[C@H](O)CC2)c1=O)-c1ccc(OC)nc1 |r,wU:16.16,wD:19.20,(24.97,-.51,;23.64,-1.28,;23.64,-2.82,;22.3,-3.59,;22.3,-5.13,;20.97,-5.9,;20.97,-7.44,;22.3,-8.21,;23.62,-7.45,;24.95,-8.21,;24.95,-9.75,;23.62,-10.52,;22.3,-9.75,;20.97,-10.52,;19.62,-9.75,;18.29,-10.51,;16.96,-9.74,;15.63,-10.51,;14.29,-9.73,;14.3,-8.19,;12.97,-7.41,;15.64,-7.43,;16.97,-8.2,;19.64,-8.21,;18.31,-7.44,;26.28,-7.43,;27.61,-8.2,;28.94,-7.43,;28.94,-5.89,;30.27,-5.11,;31.61,-5.87,;27.59,-5.12,;26.27,-5.9,)|
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-21-13-19(16-4-9-22(32-2)26-14-16)25-15-20(21)28-23(24(29)31)27-17-5-7-18(30)8-6-17/h4,9,13-15,17-18,30H,3,5-8,10-12H2,1-2H3,(H,27,28)/t17-,18-
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316646
PNG
(1-(1-(2-ethoxyethyl)-3-methyl-7-(4-methylpyridin-2...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C22H29N7O3/c1-4-32-12-11-29-19-18(15(3)27-29)25-22(28-9-6-16(7-10-28)21(30)31)26-20(19)24-17-13-14(2)5-8-23-17/h5,8,13,16H,4,6-7,9-12H2,1-3H3,(H,30,31)(H,23,24,25,26)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50300953
PNG
(3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxyp...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N[C@H]2CC[C@H](O)CC2)c1=O)-c1ccc(OC)nc1 |r,wU:16.16,wD:19.20,(24.97,-.51,;23.64,-1.28,;23.64,-2.82,;22.3,-3.59,;22.3,-5.13,;20.97,-5.9,;20.97,-7.44,;22.3,-8.21,;23.62,-7.45,;24.95,-8.21,;24.95,-9.75,;23.62,-10.52,;22.3,-9.75,;20.97,-10.52,;19.62,-9.75,;18.29,-10.51,;16.96,-9.74,;15.63,-10.51,;14.29,-9.73,;14.3,-8.19,;12.97,-7.41,;15.64,-7.43,;16.97,-8.2,;19.64,-8.21,;18.31,-7.44,;26.28,-7.43,;27.61,-8.2,;28.94,-7.43,;28.94,-5.89,;30.27,-5.11,;31.61,-5.87,;27.59,-5.12,;26.27,-5.9,)|
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-21-13-19(16-4-9-22(32-2)26-14-16)25-15-20(21)28-23(24(29)31)27-17-5-7-18(30)8-6-17/h4,9,13-15,17-18,30H,3,5-8,10-12H2,1-2H3,(H,27,28)/t17-,18-
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50357263
PNG
(CHEMBL1916293)
Show SMILES CCCOCCn1c2cc(ncc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 |(28.17,-7.71,;26.83,-8.48,;25.5,-7.71,;24.17,-8.48,;24.17,-10.02,;22.83,-10.79,;22.83,-12.33,;24.16,-13.11,;25.48,-12.34,;26.81,-13.1,;26.82,-14.65,;25.49,-15.41,;24.16,-14.65,;22.83,-15.41,;22.83,-16.95,;21.5,-17.72,;20.17,-16.95,;18.84,-17.71,;18.84,-19.25,;17.5,-20.02,;20.17,-20.02,;21.51,-19.26,;21.5,-14.65,;21.5,-13.11,;20.17,-12.34,;28.14,-12.33,;28.13,-10.79,;29.46,-10.01,;30.8,-10.78,;32.13,-10,;33.47,-10.77,;30.81,-12.32,;29.48,-13.1,)|
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-21-13-20(16-4-9-22(32-2)26-14-16)25-15-19(21)23(28-24(29)31)27-17-5-7-18(30)8-6-17/h4,9,13-15,17-18,30H,3,5-8,10-12H2,1-2H3,(H,27,28,31)
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n/an/a 0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50357254
PNG
(CHEMBL1916303)
Show SMILES CCCOCCn1c2cc(nnc2c(NCCC(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N6O5/c1-3-9-31-10-8-26-15-11-14(13-4-5-16(30-2)22-12-13)24-25-18(15)19(23-20(26)29)21-7-6-17(27)28/h4-5,11-12H,3,6-10H2,1-2H3,(H,27,28)(H,21,23,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50027770
PNG
(CHEMBL245388)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CCC(O)=O)CC1
Show InChI InChI=1S/C26H35N5O6S/c1-4-6-20-23-24(30(3)29-20)26(34)28-25(27-23)19-16-18(8-9-21(19)37-15-5-2)38(35,36)31-13-11-17(12-14-31)7-10-22(32)33/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,32,33)(H,27,28,34)
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n/an/a 0.0500n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 17: 4271-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.064
BindingDB Entry DOI: 10.7270/Q289172C
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50141580
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-8-ethyl-3-hydro...)
Show SMILES CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c(CO)cnc12)C#N
Show InChI InChI=1S/C21H20ClN3O2/c1-3-15-6-14(9-23)7-17-20(15)25-11-16(12-26)21(17)24-10-13-4-5-19(27-2)18(22)8-13/h4-8,11,26H,3,10,12H2,1-2H3,(H,24,25)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 from human platelets

Bioorg Med Chem Lett 14: 1577-80 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.090
BindingDB Entry DOI: 10.7270/Q2G1607Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50357244
PNG
(CHEMBL1916482)
Show SMILES CCCOCCn1c2cc(nnc2c(NC(C)(C)C(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H26N6O5/c1-5-9-32-10-8-27-15-11-14(13-6-7-16(31-4)22-12-13)25-26-17(15)18(23-20(27)30)24-21(2,3)19(28)29/h6-7,11-12H,5,8-10H2,1-4H3,(H,28,29)(H,23,24,30)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50035609
PNG
(CHEMBL3338455)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)N2CCc3ccccc3C2)cc1Cl
Show InChI InChI=1S/C31H31ClN4O5/c1-38-25-10-9-19(13-24(25)32)16-33-30-23(28(37)22-14-26(39-2)29(41-4)27(15-22)40-3)17-34-31(35-30)36-12-11-20-7-5-6-8-21(20)18-36/h5-10,13-15,17H,11-12,16,18H2,1-4H3,(H,33,34,35)
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n/an/a 0.0530n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide method

Bioorg Med Chem Lett 24: 5175-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.082
BindingDB Entry DOI: 10.7270/Q2F76F5Z
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50241831
PNG
(CHEMBL4062273 | US10626113, Compound M | US1089975...)
Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl
Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)
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n/an/a 0.0560n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116614
BindingDB Entry DOI: 10.7270/Q21Z48DS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50241831
PNG
(CHEMBL4062273 | US10626113, Compound M | US1089975...)
Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl
Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)
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n/an/a 0.0560n/an/an/an/an/an/a



The Trustees of Columbia University in the City of New York

US Patent


Assay Description
A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...

US Patent US10899756 (2021)


BindingDB Entry DOI: 10.7270/Q2RN3C0P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50241831
PNG
(CHEMBL4062273 | US10626113, Compound M | US1089975...)
Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl
Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)
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n/an/a 0.0560n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay

J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50241831
PNG
(CHEMBL4062273 | US10626113, Compound M | US1089975...)
Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl
Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2KH0SFD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50241840
PNG
(CHEMBL4072903 | US10899756, Compound K)
Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C#N
Show InChI InChI=1S/C22H19ClN4O2/c1-3-27-12-18-20(22(27)28)21(15-8-13(10-24)4-6-17(15)26-18)25-11-14-5-7-19(29-2)16(23)9-14/h4-9H,3,11-12H2,1-2H3,(H,25,26)
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n/an/a 0.0590n/an/an/an/an/an/a



The Trustees of Columbia University in the City of New York

US Patent


Assay Description
A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...

US Patent US10899756 (2021)


BindingDB Entry DOI: 10.7270/Q2RN3C0P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50241840
PNG
(CHEMBL4072903 | US10899756, Compound K)
Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C#N
Show InChI InChI=1S/C22H19ClN4O2/c1-3-27-12-18-20(22(27)28)21(15-8-13(10-24)4-6-17(15)26-18)25-11-14-5-7-19(29-2)16(23)9-14/h4-9H,3,11-12H2,1-2H3,(H,25,26)
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n/an/a 0.0590n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay

J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50300972
PNG
(7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(py...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCc2cnccn2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H25N7O3/c1-3-9-33-10-8-30-20-11-18(16-4-5-21(32-2)27-12-16)26-15-19(20)29-22(23(30)31)28-14-17-13-24-6-7-25-17/h4-7,11-13,15H,3,8-10,14H2,1-2H3,(H,28,29)
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n/an/a 0.0600n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50357237
PNG
(CHEMBL1916489)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCCC(C1)C(O)=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H28N6O5/c1-3-10-34-11-9-29-18-12-17(15-6-7-19(33-2)24-13-15)26-27-20(18)21(25-23(29)32)28-8-4-5-16(14-28)22(30)31/h6-7,12-13,16H,3-5,8-11,14H2,1-2H3,(H,30,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM480487
PNG
(US10626113, Compound D | US10899756, Compound D)
Show SMILES CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c3CN(C)CCc3nc12)C#N
Show InChI InChI=1S/C24H25ClN4O/c1-4-17-9-16(12-26)10-18-23(17)28-21-7-8-29(2)14-19(21)24(18)27-13-15-5-6-22(30-3)20(25)11-15/h5-6,9-11H,4,7-8,13-14H2,1-3H3,(H,27,28)
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n/an/a 0.0700n/an/an/an/an/an/a



The Trustees of Columbia University in the City of New York

US Patent


Assay Description
A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...

US Patent US10899756 (2021)


BindingDB Entry DOI: 10.7270/Q2RN3C0P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM480487
PNG
(US10626113, Compound D | US10899756, Compound D)
Show SMILES CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c3CN(C)CCc3nc12)C#N
Show InChI InChI=1S/C24H25ClN4O/c1-4-17-9-16(12-26)10-18-23(17)28-21-7-8-29(2)14-19(21)24(18)27-13-15-5-6-22(30-3)20(25)11-15/h5-6,9-11H,4,7-8,13-14H2,1-3H3,(H,27,28)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2KH0SFD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50318137
PNG
((R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidi...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCN[C@H](C)C1 |r|
Show InChI InChI=1S/C20H26F3N9O/c1-3-14-16-17(32(30-14)8-9-33-11-20(21,22)23)18(27-15-4-5-24-12-26-15)29-19(28-16)31-7-6-25-13(2)10-31/h4-5,12-13,25H,3,6-11H2,1-2H3,(H,24,26,27,28,29)/t13-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50300976
PNG
(2-(7-(6-methoxypyridin-3-yl)-2-oxo-1-(2-propoxyeth...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)NC)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H26N6O4/c1-4-8-31-9-7-27-17-10-15(14-5-6-19(30-3)24-11-14)23-12-16(17)26-20(21(27)29)25-13-18(28)22-2/h5-6,10-12H,4,7-9,13H2,1-3H3,(H,22,28)(H,25,26)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316651
PNG
(1-(2-ethoxyethyl)-3-ethyl-N-phenyl-5-(piperazin-1-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3ccccc3)c12)N1CCNCC1
Show InChI InChI=1S/C21H29N7O/c1-3-17-18-19(28(26-17)14-15-29-4-2)20(23-16-8-6-5-7-9-16)25-21(24-18)27-12-10-22-11-13-27/h5-9,22H,3-4,10-15H2,1-2H3,(H,23,24,25)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316642
PNG
((1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CO)CC1
Show InChI InChI=1S/C23H33N7O2/c1-4-18-20-21(30(28-18)12-13-32-5-2)22(25-19-14-16(3)6-9-24-19)27-23(26-20)29-10-7-17(15-31)8-11-29/h6,9,14,17,31H,4-5,7-8,10-13,15H2,1-3H3,(H,24,25,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50296256
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-19(18-4-5-22(32-2)27-16-18)26-17-20(21)28-23(24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28)
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n/an/a 0.0700n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 19: 4092-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.004
BindingDB Entry DOI: 10.7270/Q2ZG6S9Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50300983
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-(4-methylpiperazin-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)N2CCN(C)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C25H33N7O4/c1-4-12-36-13-11-32-21-14-19(18-5-6-22(35-3)27-15-18)26-16-20(21)29-24(25(32)34)28-17-23(33)31-9-7-30(2)8-10-31/h5-6,14-16H,4,7-13,17H2,1-3H3,(H,28,29)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50296256
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-19(18-4-5-22(32-2)27-16-18)26-17-20(21)28-23(24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316639
PNG
(5-(4-(aminomethyl)piperidin-1-yl)-1-(2-ethoxyethyl...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CN)CC1
Show InChI InChI=1S/C22H32N8O/c1-4-31-12-11-30-20-19(16(3)28-30)26-22(29-9-6-17(14-23)7-10-29)27-21(20)25-18-13-15(2)5-8-24-18/h5,8,13,17H,4,6-7,9-12,14,23H2,1-3H3,(H,24,25,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM150181
PNG
(US8980904, 6)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccc(F)cc2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1S/C25H24ClFN4O3/c1-33-22-7-4-16(8-21(22)26)14-34-24-20(23(32)28-10-15-2-5-19(27)6-3-15)11-29-25(30-24)31-12-17-9-18(17)13-31/h2-8,11,17-18H,9-10,12-14H2,1H3,(H,28,32)
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n/an/a 0.0750n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...

US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50300977
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-oxo-2-(pyrrolidin-1...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)N2CCCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O4/c1-3-11-34-12-10-30-20-13-18(17-6-7-21(33-2)26-14-17)25-15-19(20)28-23(24(30)32)27-16-22(31)29-8-4-5-9-29/h6-7,13-15H,3-5,8-12,16H2,1-2H3,(H,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316645
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C23H32N8O2/c1-4-17-19-20(31(29-17)11-12-33-5-2)22(26-18-13-15(3)8-9-25-18)28-23(27-19)30-10-6-7-16(14-30)21(24)32/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H2,24,32)(H,25,26,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316644
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C23H32N8O2/c1-4-17-19-20(31(29-17)12-13-33-5-2)22(26-18-14-15(3)6-9-25-18)28-23(27-19)30-10-7-16(8-11-30)21(24)32/h6,9,14,16H,4-5,7-8,10-13H2,1-3H3,(H2,24,32)(H,25,26,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50357264
PNG
(CHEMBL1916291)
Show SMILES CCCOCCn1c2cc(ncc2c(NCCN2CCOCC2)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-20(18-4-5-22(32-2)27-16-18)26-17-19(21)23(28-24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
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