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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'grondin' and Initial = 'p'   
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
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50125265
PNG
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
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n/an/a 0.0350n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate addition


J Med Chem 59: 10738-10749 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01427
BindingDB Entry DOI: 10.7270/Q27946ND
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50125265
PNG
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
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n/an/a 0.0490n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate


J Med Chem 59: 10738-10749 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01427
BindingDB Entry DOI: 10.7270/Q27946ND
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50125265
PNG
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
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n/an/a 0.0490n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay


J Med Chem 59: 5356-67 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50182422
PNG
(CHEMBL3818650)
Show SMILES COC(CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1
Show InChI InChI=1/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26)
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n/an/a 1.40n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay


J Med Chem 59: 5356-67 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50182421
PNG
(CHEMBL3817896)
Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1
Show InChI InChI=1/C23H29N3O3S/c1-15-6-4-5-7-19(15)20-12-21(22(10-16(20)2)29-9-8-24)26-23-25-17(14-30-23)11-18(13-27)28-3/h4-7,10,12,14,18,27H,8-9,11,13,24H2,1-3H3,(H,25,26)
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n/an/a 2.40n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay


J Med Chem 59: 5356-67 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134148
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2-butyl-2,3,6,7,12...)
Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C25H25N3O4/c1-2-3-10-27-13-22(29)28-19(25(27)30)12-17-16-6-4-5-7-18(16)26-23(17)24(28)15-8-9-20-21(11-15)32-14-31-20/h4-9,11,19,24,26H,2-3,10,12-14H2,1H3/t19-,24-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134098
PNG
((3aR,10S)-2-Cyclohexyl-10-(4-methoxy-phenyl)-3a,4,...)
Show SMILES COc1ccc(cc1)[C@H]1c2[nH]c3ccccc3c2Cc2c(O)n(C3CCCCC3)c(=O)n12
Show InChI InChI=1S/C26H27N3O3/c1-32-18-13-11-16(12-14-18)24-23-20(19-9-5-6-10-21(19)27-23)15-22-25(30)28(26(31)29(22)24)17-7-3-2-4-8-17/h5-6,9-14,17,24,27,30H,2-4,7-8,15H2,1H3/t24-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134148
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2-butyl-2,3,6,7,12...)
Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C25H25N3O4/c1-2-3-10-27-13-22(29)28-19(25(27)30)12-17-16-6-4-5-7-18(16)26-23(17)24(28)15-8-9-20-21(11-15)32-14-31-20/h4-9,11,19,24,26H,2-3,10,12-14H2,1H3/t19-,24-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134125
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2-benzyl-2,3,6,7,1...)
Show SMILES O=C1CN(Cc2ccccc2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H23N3O4/c32-25-15-30(14-17-6-2-1-3-7-17)28(33)22-13-20-19-8-4-5-9-21(19)29-26(20)27(31(22)25)18-10-11-23-24(12-18)35-16-34-23/h1-12,22,27,29H,13-16H2/t22-,27-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50182420
PNG
(CHEMBL3819600)
Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OC)-c2ccccc2C)n1
Show InChI InChI=1/C22H26N2O3S/c1-14-7-5-6-8-18(14)19-11-20(21(27-4)9-15(19)2)24-22-23-16(13-28-22)10-17(12-25)26-3/h5-9,11,13,17,25H,10,12H2,1-4H3,(H,23,24)
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n/an/a 3.60n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay


J Med Chem 59: 5356-67 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134100
PNG
((3aR,10R)-2-Benzyl-10-(4-methoxy-phenyl)-3a,4,9,10...)
Show SMILES COc1ccc(cc1)[C@@H]1c2[nH]c3ccccc3c2Cc2c(O)n(Cc3ccccc3)c(=O)n12
Show InChI InChI=1S/C27H23N3O3/c1-33-19-13-11-18(12-14-19)25-24-21(20-9-5-6-10-22(20)28-24)15-23-26(31)29(27(32)30(23)25)16-17-7-3-2-4-8-17/h2-14,25,28,31H,15-16H2,1H3/t25-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
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 5n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
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 5n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM50134099
PNG
((3aR,10S)-2-Butyl-10-(4-methoxy-phenyl)-3a,4,9,10-...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)cc3)n2c1=O |r|
Show InChI InChI=1S/C24H25N3O3/c1-3-4-13-26-23(28)20-14-18-17-7-5-6-8-19(17)25-21(18)22(27(20)24(26)29)15-9-11-16(30-2)12-10-15/h5-12,22,25,28H,3-4,13-14H2,1-2H3/t22-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134123
PNG
((6R,7R)-10-Butyl-6-(4-methoxy-phenyl)-5,6,9,10,11a...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)C(c3ccc(OC)cc3)n2c1=O
Show InChI InChI=1S/C24H25N3O3/c1-3-4-13-26-23(28)20-14-18-17-7-5-6-8-19(17)25-21(18)22(27(20)24(26)29)15-9-11-16(30-2)12-10-15/h5-12,22,25,28H,3-4,13-14H2,1-2H3
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134124
PNG
((6R,12aR)-2-Butyl-6-(4-methoxy-phenyl)-2,3,6,7,12,...)
Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2)C1=O
Show InChI InChI=1S/C25H27N3O3/c1-3-4-13-27-15-22(29)28-21(25(27)30)14-19-18-7-5-6-8-20(18)26-23(19)24(28)16-9-11-17(31-2)12-10-16/h5-12,21,24,26H,3-4,13-15H2,1-2H3/t21-,24-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134143
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2-cyclohexyl-2,3,6...)
Show SMILES O=C1CN(C2CCCCC2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H27N3O4/c31-24-14-29(17-6-2-1-3-7-17)27(32)21-13-19-18-8-4-5-9-20(18)28-25(19)26(30(21)24)16-10-11-22-23(12-16)34-15-33-22/h4-5,8-12,17,21,26,28H,1-3,6-7,13-15H2/t21-,26-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134106
PNG
((3aR,10S)-10-(4-Methoxy-phenyl)-2-(2-pyridin-2-yl-...)
Show SMILES COc1ccc(cc1)[C@H]1c2[nH]c3ccccc3c2Cc2c(O)n(CCc3ccccn3)c(=O)n12
Show InChI InChI=1S/C27H24N4O3/c1-34-19-11-9-17(10-12-19)25-24-21(20-7-2-3-8-22(20)29-24)16-23-26(32)30(27(33)31(23)25)15-13-18-6-4-5-14-28-18/h2-12,14,25,29,32H,13,15-16H2,1H3/t25-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134145
PNG
((R)-10-Benzo[1,3]dioxol-5-yl-2-benzyl-3a,4,9,10-te...)
Show SMILES Oc1c2Cc3c([nH]c4ccccc34)C(c3ccc4OCOc4c3)n2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H21N3O4/c31-26-21-13-19-18-8-4-5-9-20(18)28-24(19)25(17-10-11-22-23(12-17)34-15-33-22)30(21)27(32)29(26)14-16-6-2-1-3-7-16/h1-12,25,28,31H,13-15H2
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n/an/a 6n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134135
PNG
((5R,6R)-2-Cyclopropylmethyl-6-(4-methoxy-phenyl)-2...)
Show SMILES COc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC1CC1)CC2=O
Show InChI InChI=1S/C25H25N3O3/c1-31-17-10-8-16(9-11-17)24-23-19(18-4-2-3-5-20(18)26-23)12-21-25(30)27(13-15-6-7-15)14-22(29)28(21)24/h2-5,8-11,15,21,24,26H,6-7,12-14H2,1H3/t21-,24-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
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 6n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE5 (Phosphodiesterse 5)


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
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 6n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM50134117
PNG
((3aR,10S)-2-Ethyl-10-(4-methoxy-phenyl)-3a,4,9,10-...)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)cc3)n2c1=O
Show InChI InChI=1S/C22H21N3O3/c1-3-24-21(26)18-12-16-15-6-4-5-7-17(15)23-19(16)20(25(18)22(24)27)13-8-10-14(28-2)11-9-13/h4-11,20,23,26H,3,12H2,1-2H3/t20-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134107
PNG
((3aR,10R)-2-Cyclohexyl-10-(4-methoxy-phenyl)-3a,4,...)
Show SMILES COc1ccc(cc1)[C@@H]1c2[nH]c3ccccc3c2Cc2c(O)n(C3CCCCC3)c(=O)n12
Show InChI InChI=1S/C26H27N3O3/c1-32-18-13-11-16(12-14-18)24-23-20(19-9-5-6-10-21(19)27-23)15-22-25(30)28(26(31)29(22)24)17-7-3-2-4-8-17/h5-6,9-14,17,24,27,30H,2-4,7-8,15H2,1H3/t24-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134128
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2-isopropyl-2,3,6,...)
Show SMILES CC(C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C24H23N3O4/c1-13(2)26-11-21(28)27-18(24(26)29)10-16-15-5-3-4-6-17(15)25-22(16)23(27)14-7-8-19-20(9-14)31-12-30-19/h3-9,13,18,23,25H,10-12H2,1-2H3/t18-,23-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134123
PNG
((6R,7R)-10-Butyl-6-(4-methoxy-phenyl)-5,6,9,10,11a...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)C(c3ccc(OC)cc3)n2c1=O
Show InChI InChI=1S/C24H25N3O3/c1-3-4-13-26-23(28)20-14-18-17-7-5-6-8-19(17)25-21(18)22(27(20)24(26)29)15-9-11-16(30-2)12-10-15/h5-12,22,25,28H,3-4,13-14H2,1-2H3
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134093
PNG
((3aR,10R)-2-Butyl-10-(4-methoxy-phenyl)-3a,4,9,10-...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3)n2c1=O |r|
Show InChI InChI=1S/C24H25N3O3/c1-3-4-13-26-23(28)20-14-18-17-7-5-6-8-19(17)25-21(18)22(27(20)24(26)29)15-9-11-16(30-2)12-10-15/h5-12,22,25,28H,3-4,13-14H2,1-2H3/t22-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134128
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2-isopropyl-2,3,6,...)
Show SMILES CC(C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C24H23N3O4/c1-13(2)26-11-21(28)27-18(24(26)29)10-16-15-5-3-4-6-17(15)25-22(16)23(27)14-7-8-19-20(9-14)31-12-30-19/h3-9,13,18,23,25H,10-12H2,1-2H3/t18-,23-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134132
PNG
((5R,6R)-2-Ethyl-6-(4-methoxy-phenyl)-2,3,6,7,12,12...)
Show SMILES CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2)C1=O
Show InChI InChI=1S/C23H23N3O3/c1-3-25-13-20(27)26-19(23(25)28)12-17-16-6-4-5-7-18(16)24-21(17)22(26)14-8-10-15(29-2)11-9-14/h4-11,19,22,24H,3,12-13H2,1-2H3/t19-,22-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50182419
PNG
(CHEMBL3819444)
Show SMILES COC(CO)Cc1csc(Nc2ccc(C)c(c2)-c2ccccc2C)n1
Show InChI InChI=1/C21H24N2O2S/c1-14-6-4-5-7-19(14)20-11-16(9-8-15(20)2)22-21-23-17(13-26-21)10-18(12-24)25-3/h4-9,11,13,18,24H,10,12H2,1-3H3,(H,22,23)
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n/an/a 9.5n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay


J Med Chem 59: 5356-67 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134111
PNG
((3aR,10R)-2-Ethyl-10-(4-methoxy-phenyl)-3a,4,9,10-...)
Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3)n2c1=O
Show InChI InChI=1S/C22H21N3O3/c1-3-24-21(26)18-12-16-15-6-4-5-7-17(15)23-19(16)20(25(18)22(24)27)13-8-10-14(28-2)11-9-13/h4-11,20,23,26H,3,12H2,1-2H3/t20-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134136
PNG
((R)-10-(4-Methoxy-phenyl)-2-methyl-3a,4,9,10-tetra...)
Show SMILES COc1ccc(cc1)C1c2[nH]c3ccccc3c2Cc2c(O)n(C)c(=O)n12
Show InChI InChI=1S/C21H19N3O3/c1-23-20(25)17-11-15-14-5-3-4-6-16(14)22-18(15)19(24(17)21(23)26)12-7-9-13(27-2)10-8-12/h3-10,19,22,25H,11H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134105
PNG
((3aR,10R)-10-(4-Methoxy-phenyl)-2-methyl-3a,4,9,10...)
Show SMILES COc1ccc(cc1)[C@@H]1c2[nH]c3ccccc3c2Cc2c(O)n(C)c(=O)n12
Show InChI InChI=1S/C21H19N3O3/c1-23-20(25)17-11-15-14-5-3-4-6-16(14)22-18(15)19(24(17)21(23)26)12-7-9-13(27-2)10-8-12/h3-10,19,22,25H,11H2,1-2H3/t19-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134133
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2,3,6,7,12,12a-hex...)
Show SMILES O=C1CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134133
PNG
((5R,6R)-6-Benzo[1,3]dioxol-5-yl-2,3,6,7,12,12a-hex...)
Show SMILES O=C1CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134138
PNG
((R)-2-Butyl-6-(4-chloro-phenyl)-2,3,6,7,12,12a-hex...)
Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C24H24ClN3O2/c1-2-3-12-27-14-21(29)28-20(24(27)30)13-18-17-6-4-5-7-19(17)26-22(18)23(28)15-8-10-16(25)11-9-15/h4-11,20,23,26H,2-3,12-14H2,1H3/t20-,23?/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134126
PNG
((5R,6R)-2-Cyclopropyl-6-(4-methoxy-phenyl)-2,3,6,7...)
Show SMILES COc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)C1CCCC1
Show InChI InChI=1S/C26H27N3O3/c1-32-18-12-10-16(11-13-18)25-24-20(19-8-4-5-9-21(19)27-24)14-22-26(31)28(15-23(30)29(22)25)17-6-2-3-7-17/h4-5,8-13,17,22,25,27H,2-3,6-7,14-15H2,1H3/t22-,25-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134103
PNG
((3aR,10S)-2-Benzyl-10-(4-methoxy-phenyl)-3a,4,9,10...)
Show SMILES COc1ccc(cc1)[C@H]1c2[nH]c3ccccc3c2Cc2c(O)n(Cc3ccccc3)c(=O)n12
Show InChI InChI=1S/C27H23N3O3/c1-33-19-13-11-18(12-14-19)25-24-21(20-9-5-6-10-22(20)28-24)15-23-26(31)29(27(32)30(23)25)16-17-7-3-2-4-8-17/h2-14,25,28,31H,15-16H2,1H3/t25-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50182422
PNG
(CHEMBL3818650)
Show SMILES COC(CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1
Show InChI InChI=1/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26)
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n/an/a 18n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi...


J Med Chem 59: 5356-67 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM50134142
PNG
((R)-2-Benzyl-10-(4-methoxy-phenyl)-3a,4,9,10-tetra...)
Show SMILES COc1ccc(cc1)C1c2[nH]c3ccccc3c2Cc2c(O)n(Cc3ccccc3)c(=O)n12
Show InChI InChI=1S/C27H23N3O3/c1-33-19-13-11-18(12-14-19)25-24-21(20-9-5-6-10-22(20)28-24)15-23-26(31)29(27(32)30(23)25)16-17-7-3-2-4-8-17/h2-14,25,28,31H,15-16H2,1H3
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134094
PNG
((3aR,10S)-2-Butyl-10-phenyl-3a,4,9,10-tetrahydro-2...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)n2c1=O |r|
Show InChI InChI=1S/C23H23N3O2/c1-2-3-13-25-22(27)19-14-17-16-11-7-8-12-18(16)24-20(17)21(26(19)23(25)28)15-9-5-4-6-10-15/h4-12,21,24,27H,2-3,13-14H2,1H3/t21-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134097
PNG
((3aR,10S)-10-(4-Methoxy-phenyl)-2-pyridin-3-ylmeth...)
Show SMILES COc1ccc(cc1)[C@H]1c2[nH]c3ccccc3c2Cc2c(O)n(Cc3cccnc3)c(=O)n12
Show InChI InChI=1S/C26H22N4O3/c1-33-18-10-8-17(9-11-18)24-23-20(19-6-2-3-7-21(19)28-23)13-22-25(31)29(26(32)30(22)24)15-16-5-4-12-27-14-16/h2-12,14,24,28,31H,13,15H2,1H3/t24-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134104
PNG
((3aR,10S)-2-Butyl-10-(4-chloro-phenyl)-3a,4,9,10-t...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3)n2c1=O |r|
Show InChI InChI=1S/C23H22ClN3O2/c1-2-3-12-26-22(28)19-13-17-16-6-4-5-7-18(16)25-20(17)21(27(19)23(26)29)14-8-10-15(24)11-9-14/h4-11,21,25,28H,2-3,12-13H2,1H3/t21-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134108
PNG
((3aR,10S)-10-(4-Methoxy-phenyl)-3a,4,9,10-tetrahyd...)
Show SMILES COc1ccc(cc1)[C@H]1c2[nH]c3ccccc3c2Cc2c(O)[nH]c(=O)n12
Show InChI InChI=1S/C20H17N3O3/c1-26-12-8-6-11(7-9-12)18-17-14(13-4-2-3-5-15(13)21-17)10-16-19(24)22-20(25)23(16)18/h2-9,18,21,24H,10H2,1H3,(H,22,25)/t18-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134137
PNG
((5R,6R)-2-Cyclopropylmethyl-6-p-tolyl-2,3,6,7,12,1...)
Show SMILES Cc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC1CC1)CC2=O
Show InChI InChI=1S/C25H25N3O2/c1-15-6-10-17(11-7-15)24-23-19(18-4-2-3-5-20(18)26-23)12-21-25(30)27(13-16-8-9-16)14-22(29)28(21)24/h2-7,10-11,16,21,24,26H,8-9,12-14H2,1H3/t21-,24-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134139
PNG
((R)-2-Butyl-6-p-tolyl-2,3,6,7,12,12a-hexahydro-pyr...)
Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2c2ccc(C)cc2)C1=O
Show InChI InChI=1S/C25H27N3O2/c1-3-4-13-27-15-22(29)28-21(25(27)30)14-19-18-7-5-6-8-20(18)26-23(19)24(28)17-11-9-16(2)10-12-17/h5-12,21,24,26H,3-4,13-15H2,1-2H3/t21-,24?/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50182421
PNG
(CHEMBL3817896)
Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1
Show InChI InChI=1/C23H29N3O3S/c1-15-6-4-5-7-19(15)20-12-21(22(10-16(20)2)29-9-8-24)26-23-25-17(14-30-23)11-18(13-27)28-3/h4-7,10,12,14,18,27H,8-9,11,13,24H2,1-3H3,(H,25,26)
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Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi...


J Med Chem 59: 5356-67 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134114
PNG
((3aR,10S)-2-(2-Dimethylamino-ethyl)-10-(4-methoxy-...)
Show SMILES COc1ccc(cc1)[C@H]1c2[nH]c3ccccc3c2Cc2c(O)n(CCN(C)C)c(=O)n12
Show InChI InChI=1S/C24H26N4O3/c1-26(2)12-13-27-23(29)20-14-18-17-6-4-5-7-19(17)25-21(18)22(28(20)24(27)30)15-8-10-16(31-3)11-9-15/h4-11,22,25,29H,12-14H2,1-3H3/t22-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50134120
PNG
((3aR,10R)-2-Butyl-10-thiophen-3-yl-3a,4,9,10-tetra...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccsc3)n2c1=O |r|
Show InChI InChI=1S/C21H21N3O2S/c1-2-3-9-23-20(25)17-11-15-14-6-4-5-7-16(14)22-18(15)19(24(17)21(23)26)13-8-10-27-12-13/h4-8,10,12,19,22,25H,2-3,9,11H2,1H3/t19-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


J Med Chem 46: 4525-32 (2003)


Article DOI: 10.1021/jm030056e
BindingDB Entry DOI: 10.7270/Q2NP255G
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50197673
PNG
(CHEMBL3922315)
Show SMILES CC1(CCS(=O)(=O)CC1)[C@H]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |r|
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Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate addition


J Med Chem 59: 10738-10749 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01427
BindingDB Entry DOI: 10.7270/Q27946ND
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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