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Compile Data Set for Download or QSAR

Found 332 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 5A'   
Target
(Institution)
LigandTarget
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
Phosphodiesterase 5A


(Rattus norvegicus)
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 0.300n/an/an/an/an/an/a



Korea Institute of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from rat diaphragm


Bioorg Med Chem Lett 12: 2313-6 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163583
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-2-yl-...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ncc(cn1)-c1ccccn1
Show InChI InChI=1S/C28H21N5O2/c34-27-20-5-1-2-7-23(20)32-25-21(27)16-33(26(25)18-8-9-24-17(13-18)10-12-35-24)28-30-14-19(15-31-28)22-6-3-4-11-29-22/h1-9,11,13-15,26H,10,12,16H2,(H,32,34)
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n/an/a 0.400n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50304788
PNG
(CHEMBL594160 | methyl 4-(3-chloro-4-methoxybenzyla...)
Show SMILES COC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C22H25ClN4O5/c1-27(22(29)32-4)17-10-15-19(14(7-8-28)20(17)31-3)25-12-26-21(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,7-8,11H2,1-4H3,(H,24,25,26)
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n/an/a 0.600n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


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



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50382484
PNG
(CHEMBL2022213)
Show SMILES Cn1ccnc1CN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H30N6O4/c1-33-11-9-31-26(33)15-34-10-8-19(14-34)35-16-27(37)36-23(30(35)38)13-21-20-4-2-3-5-22(20)32-28(21)29(36)18-6-7-24-25(12-18)40-17-39-24/h2-7,9,11-12,19,23,29,32H,8,10,13-17H2,1H3/t19-,23-,29-/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50382480
PNG
(CHEMBL2022215)
Show SMILES CC(C)(C)OC(=O)NCCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C32H37N5O6/c1-32(2,3)43-31(40)33-11-13-35-12-10-20(16-35)36-17-27(38)37-24(30(36)39)15-22-21-6-4-5-7-23(21)34-28(22)29(37)19-8-9-25-26(14-19)42-18-41-25/h4-9,14,20,24,29,34H,10-13,15-18H2,1-3H3,(H,33,40)/t20-,24-,29-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


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



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


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



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


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



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50304790
PNG
(CHEMBL595330 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCN(C(=O)CC)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C24H29ClN4O4/c1-5-21(31)29(6-2)19-12-17-22(16(9-10-30)23(19)33-4)27-14-28-24(17)26-13-15-7-8-20(32-3)18(25)11-15/h7-8,11-12,14,30H,5-6,9-10,13H2,1-4H3,(H,26,27,28)
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n/an/a 1n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163567
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(4-imidazol-1-yl-phenyl)...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C27H20N4O3/c32-27-20-3-1-2-4-22(20)29-25-21(27)14-31(19-8-6-18(7-9-19)30-12-11-28-15-30)26(25)17-5-10-23-24(13-17)34-16-33-23/h1-13,15,26H,14,16H2,(H,29,32)
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n/an/a 1.75n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50163569
PNG
(2-(5-Bromo-pyrimidin-2-yl)-3-(2,3-dihydro-benzofur...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ncc(Br)cn1
Show InChI InChI=1S/C23H17BrN4O2/c24-15-10-25-23(26-11-15)28-12-17-20(27-18-4-2-1-3-16(18)22(17)29)21(28)14-5-6-19-13(9-14)7-8-30-19/h1-6,9-11,21H,7-8,12H2,(H,27,29)
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n/an/a 1.90n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50382483
PNG
(CHEMBL2022212)
Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccn3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H29N5O4/c37-28-17-35(21-10-12-34(16-21)15-20-5-3-4-11-32-20)31(38)25-14-23-22-6-1-2-7-24(22)33-29(23)30(36(25)28)19-8-9-26-27(13-19)40-18-39-26/h1-9,11,13,21,25,30,33H,10,12,14-18H2/t21-,25-,30-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


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



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Citation and Details
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


Citation and Details
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).


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50382482
PNG
(CHEMBL2022214)
Show SMILES CN(C)C(=O)CN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C29H31N5O5/c1-31(2)25(35)14-32-10-9-18(13-32)33-15-26(36)34-22(29(33)37)12-20-19-5-3-4-6-21(19)30-27(20)28(34)17-7-8-23-24(11-17)39-16-38-23/h3-8,11,18,22,28,30H,9-10,12-16H2,1-2H3/t18-,22-,28-/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


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

Curated by ChEMBL


Assay Description
Inhibition of bovine platelet PDE5


Citation and Details
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


Citation and Details
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 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
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n/an/a 3.30n/an/an/an/an/an/a



Inserm U761 Biostructures and Drug Discovery Lille

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5 after 24 hrs by HTRF


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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).


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246104
PNG
(CHEMBL512174 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(=O)C(F)(F)F)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C22H22ClF3N4O3/c1-4-5-13-18-14(9-16(19(13)33-3)30-21(31)22(24,25)26)20(29-11-28-18)27-10-12-6-7-17(32-2)15(23)8-12/h6-9,11H,4-5,10H2,1-3H3,(H,30,31)(H,27,28,29)
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n/an/a 4n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50059061
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-2-(phen...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C#Cc3ccccc3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C26H23N5O/c1-29-25(32)23-24(31-21-14-8-13-20(21)27-26(29)31)28-22(16-15-18-9-4-2-5-10-18)30(23)17-19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-14,17H2,1H3/t20-,21+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50059063
PNG
(1-{4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-6-chlor...)
Show SMILES OC(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)
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n/an/a 4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


Citation and Details
More data for this
Ligand-Target Pair
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
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).


Citation and Details
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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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


Citation and Details
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 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
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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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM50246145
PNG
(CHEMBL471702 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCCc1c(OC)c(NC(=O)CC)cc2c(NCc3ccc(OC)c(Cl)c3)ncnc12
Show InChI InChI=1S/C23H27ClN4O3/c1-5-7-15-21-16(11-18(22(15)31-4)28-20(29)6-2)23(27-13-26-21)25-12-14-8-9-19(30-3)17(24)10-14/h8-11,13H,5-7,12H2,1-4H3,(H,28,29)(H,25,26,27)
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n/an/a 5n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Citation and Details
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 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
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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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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


Citation and Details
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 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
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n/an/a 5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50073700
PNG
((R)-2-Hexyl-7-isopropyl-5-methyl-7,8-dihydro-3H,5H...)
Show SMILES CCCCCCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C
Show InChI InChI=1S/C17H27N5O/c1-5-6-7-8-9-13-19-14-15(20-13)22-10-12(11(2)3)18-17(22)21(4)16(14)23/h11-12H,5-10H2,1-4H3,(H,19,20)/t12-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50126458
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...)
Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H30N4O4/c37-29-18-35(22-12-13-34(17-22)16-20-6-2-1-3-7-20)32(38)26-15-24-23-8-4-5-9-25(23)33-30(24)31(36(26)29)21-10-11-27-28(14-21)40-19-39-27/h1-11,14,22,26,31,33H,12-13,15-19H2/t22-,26-,31-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50073694
PNG
((R)-7-Isopropyl-5-methyl-2-(4-methyl-pentyl)-7,8-d...)
Show SMILES CC(C)CCCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C
Show InChI InChI=1S/C17H27N5O/c1-10(2)7-6-8-13-19-14-15(20-13)22-9-12(11(3)4)18-17(22)21(5)16(14)23/h10-12H,6-9H2,1-5H3,(H,19,20)/t12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)

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
Inhibitory activity against bovine PDE5 (phosphodiesterase-5).


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


Citation and Details
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).


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 5A


(Bos taurus)
BDBM50382485
PNG
(CHEMBL2022209)
Show SMILES O=C1CN([C@@H]2CCN(Cc3ccc4OCOc4c3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H30N4O6/c38-30-16-36(21-9-10-35(15-21)14-19-5-7-26-28(11-19)42-17-40-26)33(39)25-13-23-22-3-1-2-4-24(22)34-31(23)32(37(25)30)20-6-8-27-29(12-20)43-18-41-27/h1-8,11-12,21,25,32,34H,9-10,13-18H2/t21-,25-,32-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
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).


Citation and Details
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).


Citation and Details
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
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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n/an/a 8n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50073703
PNG
(2-Hexyl-5,7,7-trimethyl-7,8-dihydro-3H,5H-imidazo[...)
Show SMILES CCCCCCc1nc2N3CC(C)(C)N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C16H25N5O/c1-5-6-7-8-9-11-17-12-13(18-11)21-10-16(2,3)19-15(21)20(4)14(12)22/h5-10H2,1-4H3,(H,17,18)
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n/an/a 8n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)

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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50246015
PNG
(CHEMBL473301 | N-(3-chloro-4-methoxybenzyl)-7-chlo...)
Show SMILES COc1ccc(CNc2ncnc3cc(Cl)c(cc23)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C16H12Cl2N4O3/c1-25-15-3-2-9(4-12(15)18)7-19-16-10-5-14(22(23)24)11(17)6-13(10)20-8-21-16/h2-6,8H,7H2,1H3,(H,19,20,21)
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n/an/a 8n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine PDE5


Citation and Details
More data for this
Ligand-Target Pair
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