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Compile Data Set for Download or QSAR

Found 220 hits with Last Name = 'gosset' and Initial = 'j'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50287520
PNG
(CHEMBL4159883)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NC(C)c1cnn(C)n1
Show InChI InChI=1S/C19H20ClN5O4S/c1-12(16-11-21-25(2)23-16)22-19(26)13-4-9-17(29-3)18(10-13)30(27,28)24-15-7-5-14(20)6-8-15/h4-12,24H,1-3H3,(H,22,26)
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2.80E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates


ACS Med Chem Lett 9: 125-130 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00481
BindingDB Entry DOI: 10.7270/Q2KH0QVZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50287557
PNG
(CHEMBL4159568)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(C)cc1)C(=O)NCc1nc(C)no1
Show InChI InChI=1S/C19H20N4O5S/c1-12-4-7-15(8-5-12)23-29(25,26)17-10-14(6-9-16(17)27-3)19(24)20-11-18-21-13(2)22-28-18/h4-10,23H,11H2,1-3H3,(H,20,24)
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>4.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates


ACS Med Chem Lett 9: 125-130 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00481
BindingDB Entry DOI: 10.7270/Q2KH0QVZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50287554
PNG
(CHEMBL4162926)
Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(C)cc2)n1
Show InChI InChI=1S/C19H20N4O4S/c1-12-4-8-16(9-5-12)23-28(25,26)17-10-15(7-6-13(17)2)19(24)20-11-18-21-14(3)22-27-18/h4-10,23H,11H2,1-3H3,(H,20,24)
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>4.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates


ACS Med Chem Lett 9: 125-130 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00481
BindingDB Entry DOI: 10.7270/Q2KH0QVZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50287553
PNG
(CHEMBL4166791)
Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(cc2)-c2ccno2)n1
Show InChI InChI=1S/C21H19N5O5S/c1-13-3-4-16(21(27)22-12-20-24-14(2)25-31-20)11-19(13)32(28,29)26-17-7-5-15(6-8-17)18-9-10-23-30-18/h3-11,26H,12H2,1-2H3,(H,22,27)
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>4.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates


ACS Med Chem Lett 9: 125-130 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00481
BindingDB Entry DOI: 10.7270/Q2KH0QVZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50287559
PNG
(CHEMBL4170197)
Show SMILES Cc1noc(CNC(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(C)cc2)n1
Show InChI InChI=1S/C18H18N4O4S/c1-12-6-8-15(9-7-12)22-27(24,25)16-5-3-4-14(10-16)18(23)19-11-17-20-13(2)21-26-17/h3-10,22H,11H2,1-2H3,(H,19,23)
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>4.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates


ACS Med Chem Lett 9: 125-130 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00481
BindingDB Entry DOI: 10.7270/Q2KH0QVZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50287556
PNG
(CHEMBL4161489)
Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)-c1ccno1)C(=O)NCc1cn(C)nn1
Show InChI InChI=1S/C21H20N6O4S/c1-14-3-4-16(21(28)22-12-18-13-27(2)26-24-18)11-20(14)32(29,30)25-17-7-5-15(6-8-17)19-9-10-23-31-19/h3-11,13,25H,12H2,1-2H3,(H,22,28)
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>4.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates


ACS Med Chem Lett 9: 125-130 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00481
BindingDB Entry DOI: 10.7270/Q2KH0QVZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50287552
PNG
(CHEMBL4175004)
Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NCc1cn(C)nn1
Show InChI InChI=1S/C18H18ClN5O3S/c1-12-3-4-13(18(25)20-10-16-11-24(2)23-21-16)9-17(12)28(26,27)22-15-7-5-14(19)6-8-15/h3-9,11,22H,10H2,1-2H3,(H,20,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates


ACS Med Chem Lett 9: 125-130 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00481
BindingDB Entry DOI: 10.7270/Q2KH0QVZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50287520
PNG
(CHEMBL4159883)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NC(C)c1cnn(C)n1
Show InChI InChI=1S/C19H20ClN5O4S/c1-12(16-11-21-25(2)23-16)22-19(26)13-4-9-17(29-3)18(10-13)30(27,28)24-15-7-5-14(20)6-8-15/h4-12,24H,1-3H3,(H,22,26)
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>4.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates


ACS Med Chem Lett 9: 125-130 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00481
BindingDB Entry DOI: 10.7270/Q2KH0QVZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50287558
PNG
(CHEMBL1333494)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)NCc2cccnc2)cc1
Show InChI InChI=1S/C21H21N3O3S/c1-15-5-9-19(10-6-15)24-28(26,27)20-12-18(8-7-16(20)2)21(25)23-14-17-4-3-11-22-13-17/h3-13,24H,14H2,1-2H3,(H,23,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates


ACS Med Chem Lett 9: 125-130 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00481
BindingDB Entry DOI: 10.7270/Q2KH0QVZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50287555
PNG
(CHEMBL4174695)
Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C18H17ClN4O4S/c1-11-3-4-13(18(24)20-10-17-21-12(2)22-27-17)9-16(11)28(25,26)23-15-7-5-14(19)6-8-15/h3-9,23H,10H2,1-2H3,(H,20,24)
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>4.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates


ACS Med Chem Lett 9: 125-130 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00481
BindingDB Entry DOI: 10.7270/Q2KH0QVZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50287519
PNG
(CHEMBL4172084)
Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(cc2)-c2cnco2)n1
Show InChI InChI=1S/C21H19N5O5S/c1-13-3-4-16(21(27)23-11-20-24-14(2)25-31-20)9-19(13)32(28,29)26-17-7-5-15(6-8-17)18-10-22-12-30-18/h3-10,12,26H,11H2,1-2H3,(H,23,27)
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>4.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates


ACS Med Chem Lett 9: 125-130 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00481
BindingDB Entry DOI: 10.7270/Q2KH0QVZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359779
PNG
(CHEMBL1928271)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCC2CC2)c(c1)-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1
Show InChI InChI=1S/C28H40N8O5S/c1-3-23-24-25(32-36(23)12-9-34-13-15-40-16-14-34)27(37)31-26(30-24)22-17-21(18-29-28(22)41-19-20-5-6-20)42(38,39)35-10-7-33(4-2)8-11-35/h17-18,20H,3-16,19H2,1-2H3,(H,30,31,37)
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n/an/a 0.260n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359773
PNG
(CHEMBL1928265)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCN(CC1)S(C)(=O)=O)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C28H42N8O6S2/c1-5-8-17-42-28-22(18-21(19-29-28)44(40,41)35-15-13-33(7-3)14-16-35)26-30-24-23(6-2)36(32-25(24)27(37)31-26)20-9-11-34(12-10-20)43(4,38)39/h18-20H,5-17H2,1-4H3,(H,30,31,37)
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n/an/a 0.310n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359767
PNG
(CHEMBL1928259)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCC(C)C)c(c1)-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1
Show InChI InChI=1S/C25H37N7O5S/c1-6-20-21-22(29-32(20)12-13-36-5)24(33)28-23(27-21)19-14-18(15-26-25(19)37-16-17(3)4)38(34,35)31-10-8-30(7-2)9-11-31/h14-15,17H,6-13,16H2,1-5H3,(H,27,28,33)
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n/an/a 0.690n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359795
PNG
(CHEMBL1928258)
Show SMILES CCCOc1ncc(cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C24H35N7O5S/c1-5-13-36-24-18(15-17(16-25-24)37(33,34)30-10-8-29(7-3)9-11-30)22-26-20-19(6-2)31(12-14-35-4)28-21(20)23(32)27-22/h15-16H,5-14H2,1-4H3,(H,26,27,32)
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n/an/a 0.690n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359774
PNG
(CHEMBL1928266)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCN(C)CC1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C28H42N8O4S/c1-5-8-17-40-28-22(18-21(19-29-28)41(38,39)35-15-13-34(7-3)14-16-35)26-30-24-23(6-2)36(32-25(24)27(37)31-26)20-9-11-33(4)12-10-20/h18-20H,5-17H2,1-4H3,(H,30,31,37)
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n/an/a 0.740n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359768
PNG
(CHEMBL1928260)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCc2ccccn2)c(c1)-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1
Show InChI InChI=1S/C27H34N8O5S/c1-4-22-23-24(32-35(22)14-15-39-3)26(36)31-25(30-23)21-16-20(41(37,38)34-12-10-33(5-2)11-13-34)17-29-27(21)40-18-19-8-6-7-9-28-19/h6-9,16-17H,4-5,10-15,18H2,1-3H3,(H,30,31,36)
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n/an/a 0.75n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359777
PNG
(CHEMBL1928269)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(C)C1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C26H38N8O4S/c1-5-8-13-38-26-20(14-19(15-27-26)39(36,37)33-11-9-32(7-3)10-12-33)24-28-22-21(6-2)34(18-16-31(4)17-18)30-23(22)25(35)29-24/h14-15,18H,5-13,16-17H2,1-4H3,(H,28,29,35)
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n/an/a 0.780n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359778
PNG
(CHEMBL1928270)
Show SMILES CCOc1ncc(cc1-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C26H38N8O5S/c1-4-21-22-23(30-34(21)12-9-32-13-15-38-16-14-32)25(35)29-24(28-22)20-17-19(18-27-26(20)39-6-3)40(36,37)33-10-7-31(5-2)8-11-33/h17-18H,4-16H2,1-3H3,(H,28,29,35)
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n/an/a 0.860n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359790
PNG
(CHEMBL1928253)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(CC3CC3)nc2c(=O)[nH]1
Show InChI InChI=1S/C25H35N7O5S/c1-4-20-21-22(29-32(20)16-17-6-7-17)24(33)28-23(27-21)19-14-18(15-26-25(19)37-13-12-36-3)38(34,35)31-10-8-30(5-2)9-11-31/h14-15,17H,4-13,16H2,1-3H3,(H,27,28,33)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359789
PNG
(CHEMBL1928252)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(CC(C)C)nc2c(=O)[nH]1
Show InChI InChI=1S/C25H37N7O5S/c1-6-20-21-22(29-32(20)16-17(3)4)24(33)28-23(27-21)19-14-18(15-26-25(19)37-13-12-36-5)38(34,35)31-10-8-30(7-2)9-11-31/h14-15,17H,6-13,16H2,1-5H3,(H,27,28,33)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359771
PNG
(CHEMBL1928263)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(CCN(C)C)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C26H40N8O4S/c1-6-9-16-38-26-20(17-19(18-27-26)39(36,37)33-13-11-32(8-3)12-14-33)24-28-22-21(7-2)34(15-10-31(4)5)30-23(22)25(35)29-24/h17-18H,6-16H2,1-5H3,(H,28,29,35)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50246483
PNG
(3-ethyl-5-(5-(4-ethylpiperazin-1-ylsulfonyl)-2-pro...)
Show SMILES CCCOc1ncc(cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C27H34N8O4S/c1-4-15-39-27-21(16-20(17-29-27)40(37,38)34-13-11-33(6-3)12-14-34)25-30-23-22(5-2)35(32-24(23)26(36)31-25)18-19-9-7-8-10-28-19/h7-10,16-17H,4-6,11-15,18H2,1-3H3,(H,30,31,36)
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359770
PNG
(CHEMBL1928262)
Show SMILES CCOc1ncc(cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359780
PNG
(CHEMBL1928272)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1
Show InChI InChI=1S/C27H40N8O6S/c1-4-22-23-24(31-35(22)11-8-33-12-14-40-15-13-33)26(36)30-25(29-23)21-18-20(19-28-27(21)41-17-16-39-3)42(37,38)34-9-6-32(5-2)7-10-34/h18-19H,4-17H2,1-3H3,(H,29,30,36)
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359787
PNG
(CHEMBL1928250)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(nc2c(=O)[nH]1)C(C)C
Show InChI InChI=1S/C24H35N7O5S/c1-6-19-20-21(28-31(19)16(3)4)23(32)27-22(26-20)18-14-17(15-25-24(18)36-13-12-35-5)37(33,34)30-10-8-29(7-2)9-11-30/h14-16H,6-13H2,1-5H3,(H,26,27,32)
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359769
PNG
(CHEMBL1928261)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1
Show InChI InChI=1S/C24H35N7O6S/c1-5-19-20-21(28-31(19)11-12-35-3)23(32)27-22(26-20)18-15-17(16-25-24(18)37-14-13-36-4)38(33,34)30-9-7-29(6-2)8-10-30/h15-16H,5-14H2,1-4H3,(H,26,27,32)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359791
PNG
(CHEMBL1928254)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C26H37N7O6S/c1-4-21-22-23(30-33(21)18-6-12-38-13-7-18)25(34)29-24(28-22)20-16-19(17-27-26(20)39-15-14-37-3)40(35,36)32-10-8-31(5-2)9-11-32/h16-18H,4-15H2,1-3H3,(H,28,29,34)
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359786
PNG
(CHEMBL1928249)
Show SMILES CCCn1nc2c(nc([nH]c2=O)-c2cc(cnc2OCCOC)S(=O)(=O)N2CCN(CC)CC2)c1CC
Show InChI InChI=1S/C24H35N7O5S/c1-5-8-31-19(6-2)20-21(28-31)23(32)27-22(26-20)18-15-17(16-25-24(18)36-14-13-35-4)37(33,34)30-11-9-29(7-3)10-12-30/h15-16H,5-14H2,1-4H3,(H,26,27,32)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359788
PNG
(CHEMBL1928251)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCC1
Show InChI InChI=1S/C25H35N7O5S/c1-4-20-21-22(29-32(20)17-7-6-8-17)24(33)28-23(27-21)19-15-18(16-26-25(19)37-14-13-36-3)38(34,35)31-11-9-30(5-2)10-12-31/h15-17H,4-14H2,1-3H3,(H,27,28,33)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359772
PNG
(CHEMBL1928264)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCC(C)C)c(c1)-c1nc2c(CC)n(CCCN(C)C)nc2c(=O)[nH]1
Show InChI InChI=1S/C27H42N8O4S/c1-7-22-23-24(31-35(22)11-9-10-32(5)6)26(36)30-25(29-23)21-16-20(17-28-27(21)39-18-19(3)4)40(37,38)34-14-12-33(8-2)13-15-34/h16-17,19H,7-15,18H2,1-6H3,(H,29,30,36)
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359782
PNG
(CHEMBL1928274)
Show SMILES CCCOc1ncc(cc1-c1nc2c3CCCCn3nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H31N7O4S/c1-3-13-34-23-17(14-16(15-24-23)35(32,33)29-11-9-28(4-2)10-12-29)21-25-19-18-7-5-6-8-30(18)27-20(19)22(31)26-21/h14-15H,3-13H2,1-2H3,(H,25,26,31)
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359785
PNG
(CHEMBL1928277)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c3C(C)CCCn3nc2c(=O)[nH]1
Show InChI InChI=1S/C24H33N7O5S/c1-4-29-8-10-30(11-9-29)37(33,34)17-14-18(24(25-15-17)36-13-12-35-3)22-26-19-20(23(32)27-22)28-31-7-5-6-16(2)21(19)31/h14-16H,4-13H2,1-3H3,(H,26,27,32)
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n/an/a 2.76n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359793
PNG
(CHEMBL1928256)
Show SMILES CCc1n(CC(C)C)nc2c1nc([nH]c2=O)-c1cc(cnc1OCCOC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H35N7O5S/c1-6-19-20-21(28-31(19)15-16(2)3)23(32)27-22(26-20)18-13-17(14-25-24(18)36-12-11-35-5)37(33,34)30-9-7-29(4)8-10-30/h13-14,16H,6-12,15H2,1-5H3,(H,26,27,32)
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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 3.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359784
PNG
(CHEMBL1928276)
Show SMILES CCOc1ncc(cc1-c1nc2c3C(C)CCCn3nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H31N7O4S/c1-4-28-9-11-29(12-10-28)35(32,33)16-13-17(23(24-14-16)34-5-2)21-25-18-19(22(31)26-21)27-30-8-6-7-15(3)20(18)30/h13-15H,4-12H2,1-3H3,(H,25,26,31)
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359792
PNG
(CHEMBL1928255)
Show SMILES CCCn1nc2c(nc([nH]c2=O)-c2cc(cnc2OCCOC)S(=O)(=O)N2CCN(C)CC2)c1CC
Show InChI InChI=1S/C23H33N7O5S/c1-5-7-30-18(6-2)19-20(27-30)22(31)26-21(25-19)17-14-16(15-24-23(17)35-13-12-34-4)36(32,33)29-10-8-28(3)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)
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n/an/a 4.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM504495
PNG
(First-eluting isomer (see footnote 4 in Table 1); ...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CC[C@@H](NC1)C(F)(F)F |r|
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n/an/a 4.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM504419
PNG
(2-{5-[(3-Ethoxy-5-fluoropyridin-2-yl)oxy]pyridin-3...)
Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNCC[C@@H]1F |r|
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n/an/a 5.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50117662
PNG
(CHEMBL3613706)
Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)-c2ccccc2)c1
Show InChI InChI=1S/C25H23N5O4S/c1-34-22-9-5-6-18(12-22)13-25(31)29-16-19-10-11-23(14-20(19)17-29)35(32,33)28-24-15-26-30(27-24)21-7-3-2-4-8-21/h2-12,14-15H,13,16-17H2,1H3,(H,27,28)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MGAT3 (unknown origin) assessed effect on incorporation of [1-14C]decanoyl moiety into triacylglycerol using [1-14C]decanoyl-CoA and 1,...


J Med Chem 58: 7164-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01008
BindingDB Entry DOI: 10.7270/Q2F191HJ
More data for this
Ligand-Target Pair
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50117663
PNG
(CHEMBL3613707)
Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H22FN5O4S/c1-35-22-4-2-3-17(11-22)12-25(32)30-15-18-5-10-23(13-19(18)16-30)36(33,34)29-24-14-27-31(28-24)21-8-6-20(26)7-9-21/h2-11,13-14H,12,15-16H2,1H3,(H,28,29)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MGAT3 (unknown origin) assessed effect on incorporation of [1-14C]decanoyl moiety into triacylglycerol using [1-14C]decanoyl-CoA and 1,...


J Med Chem 58: 7164-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01008
BindingDB Entry DOI: 10.7270/Q2F191HJ
More data for this
Ligand-Target Pair
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50117662
PNG
(CHEMBL3613706)
Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)-c2ccccc2)c1
Show InChI InChI=1S/C25H23N5O4S/c1-34-22-9-5-6-18(12-22)13-25(31)29-16-19-10-11-23(14-20(19)17-29)35(32,33)28-24-15-26-30(27-24)21-7-3-2-4-8-21/h2-12,14-15H,13,16-17H2,1H3,(H,27,28)
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n/an/a 6.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MGAT3 (unknown origin) assessed effect on incorporation of [1-14C]decanoyl moiety into triacylglycerol using [1-14C]decanoyl-CoA and 1,...


J Med Chem 58: 7164-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01008
BindingDB Entry DOI: 10.7270/Q2F191HJ
More data for this
Ligand-Target Pair
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50117663
PNG
(CHEMBL3613707)
Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H22FN5O4S/c1-35-22-4-2-3-17(11-22)12-25(32)30-15-18-5-10-23(13-19(18)16-30)36(33,34)29-24-14-27-31(28-24)21-8-6-20(26)7-9-21/h2-11,13-14H,12,15-16H2,1H3,(H,28,29)
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n/an/a 6.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MGAT3 (unknown origin) assessed effect on incorporation of [1-14C]decanoyl moiety into triacylglycerol using [1-14C]decanoyl-CoA and 1,...


J Med Chem 58: 7164-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01008
BindingDB Entry DOI: 10.7270/Q2F191HJ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276748
PNG
(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO
Show InChI InChI=1S/C21H23N5O4/c1-4-29-17-6-5-7-23-20(17)30-16-8-14(9-22-12-16)18-24-10-15(11-25-18)19(28)26-21(2,3)13-27/h5-12,27H,4,13H2,1-3H3,(H,26,28)
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n/an/a 6.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01200
BindingDB Entry DOI: 10.7270/Q23N27CP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM276749
PNG
(US10188653, Example 19.21 | US11034678, WO20151406...)
Show SMILES CCOc1ccccc1O[C@@H]1CCCN(C1)c1ncc(cn1)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C22H30N4O4/c1-4-29-18-9-5-6-10-19(18)30-17-8-7-11-26(14-17)21-23-12-16(13-24-21)20(28)25-22(2,3)15-27/h5-6,9-10,12-13,17,27H,4,7-8,11,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01200
BindingDB Entry DOI: 10.7270/Q23N27CP
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359776
PNG
(CHEMBL1928268)
Show SMILES CCOc1ncc(cc1C(=O)Nc1c(CC)n(nc1C(N)=O)C1CN(C)C1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C24H36N8O5S/c1-5-19-20(21(22(25)33)28-32(19)16-14-29(4)15-16)27-23(34)18-12-17(13-26-24(18)37-7-3)38(35,36)31-10-8-30(6-2)9-11-31/h12-13,16H,5-11,14-15H2,1-4H3,(H2,25,33)(H,27,34)
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n/an/a 8.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359783
PNG
(CHEMBL1928275)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c3CCCCn3nc2c(=O)[nH]1
Show InChI InChI=1S/C23H31N7O5S/c1-3-28-8-10-29(11-9-28)36(32,33)16-14-17(23(24-15-16)35-13-12-34-2)21-25-19-18-6-4-5-7-30(18)27-20(19)22(31)26-21/h14-15H,3-13H2,1-2H3,(H,25,26,31)
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n/an/a 8.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM504424
PNG
(2-{5-[(3-Ethoxy-5-fluoropyridin-2-yl)oxy]pyridin-3...)
Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNC[C@@H](F)C1 |r|
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n/an/a 8.60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM504484
PNG
(2-{5-[(3-Ethoxypyridin-2-yl)oxy]pyridin-3-yl}-N-[(...)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNC[C@@H](F)C1 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359781
PNG
(CHEMBL1928273)
Show SMILES CCOc1ncc(cc1-c1nc2c3CCCCn3nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C22H29N7O4S/c1-3-27-9-11-28(12-10-27)34(31,32)15-13-16(22(23-14-15)33-4-2)20-24-18-17-7-5-6-8-29(17)26-19(18)21(30)25-20/h13-14H,3-12H2,1-2H3,(H,24,25,30)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
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