Found 44 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134148
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134125
((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 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134148
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134124
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM14777
((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 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134123
((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 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM14777
((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 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134143
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134128
((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 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134145
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134135
((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 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134128
((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 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM14390
(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) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134123
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134132
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134136
((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 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134133
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134133
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134138
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134126
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134142
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134137
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134139
((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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134140
((5R,6R)-6-(4-Methoxy-phenyl)-2-methyl-2,3,6,7,12,1...)Show SMILES COc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(C)CC2=O Show InChI InChI=1S/C22H21N3O3/c1-24-12-19(26)25-18(22(24)27)11-16-15-5-3-4-6-17(15)23-20(16)21(25)13-7-9-14(28-2)10-8-13/h3-10,18,21,23H,11-12H2,1-2H3/t18-,21-/m1/s1 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134122
((3aR,10R)-10-Benzo[1,3]dioxol-5-yl-2-methyl-2,3,3a...)Show SMILES CN1C[C@H]2Cc3c([nH]c4ccccc34)[C@H](N2C1=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C21H19N3O3/c1-23-10-13-9-15-14-4-2-3-5-16(14)22-19(15)20(24(13)21(23)25)12-6-7-17-18(8-12)27-11-26-17/h2-8,13,20,22H,9-11H2,1H3/t13-,20-/m1/s1 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134131
((3aR,10S)-2-Benzyl-10-(4-methoxy-phenyl)-1,2,3a,4,...)Show SMILES COc1ccc(cc1)[C@@H]1N2CN(Cc3ccccc3)C(=O)[C@H]2Cc2c1[nH]c1ccccc21 Show InChI InChI=1S/C27H25N3O2/c1-32-20-13-11-19(12-14-20)26-25-22(21-9-5-6-10-23(21)28-25)15-24-27(31)29(17-30(24)26)16-18-7-3-2-4-8-18/h2-14,24,26,28H,15-17H2,1H3/t24-,26+/m1/s1 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134146
((R)-2-Butyl-6-(4-methoxy-phenyl)-2,3,6,7,12,12a-he...)Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2c2ccc(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 | PDB
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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 | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM14390
(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) | PDB
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Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of bovine retina PDE6 (Phosphodiesterase 6) |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134149
((5S,6R)-6-Benzo[1,3]dioxol-5-yl-2-methyl-2,3,6,7,1...)Show SMILES CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O 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+/m0/s1 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134129
((R)-2-Butyl-6-phenyl-2,3,6,7,12,12a-hexahydro-pyra...)Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2c2ccccc2)C1=O Show InChI InChI=1S/C24H25N3O2/c1-2-3-13-26-15-21(28)27-20(24(26)29)14-18-17-11-7-8-12-19(17)25-22(18)23(27)16-9-5-4-6-10-16/h4-12,20,23,25H,2-3,13-15H2,1H3/t20-,23?/m1/s1 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50409731
(CHEMBL2111963)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 | PDB
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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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134141
(4-((R)-2-Butyl-1,4-dioxo-1,2,3,4,6,7,12,12a-octahy...)Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2c2ccc(cc2)C#N)C1=O Show InChI InChI=1S/C25H24N4O2/c1-2-3-12-28-15-22(30)29-21(25(28)31)13-19-18-6-4-5-7-20(18)27-23(19)24(29)17-10-8-16(14-26)9-11-17/h4-11,21,24,27H,2-3,12-13,15H2,1H3/t21-,24?/m1/s1 | PDB
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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 | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
(Bos taurus-BOVINE) | BDBM14390
(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) | PDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of bovine aorta PDE1 (Phosphodiesterase 1) |
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 | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM14777
((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 | PDB
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Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of bovine retina PDE6 (Phosphodiesterase 6) |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134147
((5R,6S)-6-Benzo[1,3]dioxol-5-yl-2-methyl-2,3,6,7,1...)Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc3OCOc3c2)C1=O 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 | PDB
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| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14390
(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) | PDB
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| PDB
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PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4 (Phosphodiesterase 4) |
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 Structure (crystal) |
Phosphodiesterase
(Bos taurus) | BDBM14390
(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) | PDB
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| Article
PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of bovine aorta PDE3 (Phosphodiesterase 3) |
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 | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14777
((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 | PDB
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Human recombinant PDE2 (Phosphodiesterase 2) |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134144
((3aR,10R)-2-Butyl-10-(4-methoxy-phenyl)-2,3,3a,4,9...)Show SMILES CCCCN1C[C@H]2Cc3c([nH]c4ccccc34)[C@H](N2C1)c1ccc(OC)cc1 Show InChI InChI=1S/C24H29N3O/c1-3-4-13-26-15-18-14-21-20-7-5-6-8-22(20)25-23(21)24(27(18)16-26)17-9-11-19(28-2)12-10-17/h5-12,18,24-25H,3-4,13-16H2,1-2H3/t18-,24-/m1/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14390
(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) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Human recombinant PDE2 (Phosphodiesterase 2) |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50134134
((5S,6S)-6-Benzo[1,3]dioxol-5-yl-2-methyl-2,3,6,7,1...)Show SMILES CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc3OCOc3c2)C1=O 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-/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
(Bos taurus-BOVINE) | BDBM14777
((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 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of bovine aorta PDE1 (Phosphodiesterase 1) |
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 | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14777
((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 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Human recombinant PDE4 (Phosphodiesterase 4) |
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
(Bos taurus) | BDBM14777
((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 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of bovine aorta PDE3 (Phosphodiesterase 3) |
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 | |
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