Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) with all data for entry = 50029933
LigandPNGBDBM50289464(3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3
Affinity DataIC50: 110nMAssay Description:Inhibition of bovine aorta phosphodiesterase 1More data for this Ligand-Target Pair
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LigandPNGBDBM50289464(3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3
Affinity DataIC50: 190nMAssay Description:Inhibition of bovine lung phosphodiesterase 5More data for this Ligand-Target Pair
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TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50289464(3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of phosphodiesterase 4More data for this Ligand-Target Pair
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TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50289464(3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of phosphodiesterase 2More data for this Ligand-Target Pair
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TargetPhosphodiesterase(Bos taurus)
TBA

Curated by ChEMBL
LigandPNGBDBM50289464(3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of bovine heart phosphodiesterase 3More data for this Ligand-Target Pair
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