BindingDB BDBM14361 (R,S)-Rolipram::4-(3-cyclopentyloxy-4-methoxy-phenyl)pyrrolidin-2-one::4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one::Adeo::CHEMBL63::Rolipram

BDBM14361 (R,S)-Rolipram::4-(3-cyclopentyloxy-4-methoxy-phenyl)pyrrolidin-2-one::4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one::Adeo::CHEMBL63::Rolipram

SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1

InChI Key InChIKey=HJORMJIFDVBMOB-UHFFFAOYSA-N

Data 29 KI 243 IC50 3 EC50

PDB links: 9 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 14361

cAMP-specific 3',5'-cyclic phosphodiesterase 4A(Homo sapiens (Human))
Seoul National University

Curated by ChEMBL

BDBM14361((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)

IC50: 1.95E+3nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged PDE4A4 (2 to 886 residues) expressed in baculovirus infected Sf9 cells using cAMP as substrate ...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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cAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Seoul National University

Curated by ChEMBL

BDBM14361((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)

IC50: 1.27E+3nMAssay Description:Inhibition of recombinant full length human N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 ...More data for this Ligand-Target Pair

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3D Structure (crystal)

cAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Seoul National University

Curated by ChEMBL

BDBM14361((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)

IC50: 1.27E+3nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 ...More data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

cAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Seoul National University

Curated by ChEMBL

BDBM14361((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)

IC50: 1.05E+3nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged PDE4D7 (2 to 748 residues) expressed in baculovirus infected Sf9 cells using cAMP as substrate ...More data for this Ligand-Target Pair

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3D Structure (crystal)

cAMP-specific 3',5'-cyclic phosphodiesterase 4C(Homo sapiens (Human))
Seoul National University

Curated by ChEMBL

BDBM14361((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)

IC50: 1.68E+3nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged PDE4C1 expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 ...More data for this Ligand-Target Pair

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3D Structure (crystal)

Filter my 275 hits

Targets 36▿
- cAMP-specific 3',5'-cyclic phosphodiesterase 4D 71
- cAMP-specific 3',5'-cyclic phosphodiesterase 4B 59
- cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D 43
- cAMP-specific 3',5'-cyclic phosphodiesterase 4C 25
- cAMP-specific 3',5'-cyclic phosphodiesterase 4A 13
- cGMP-specific 3',5'-cyclic phosphodiesterase 10
- cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B 9
- cGMP-dependent 3',5'-cyclic phosphodiesterase 6
- Tumor necrosis factor 4
- Phosphodiesterase 3
- High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A 2
- Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B 2
- Protein cereblon 2
- Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C 2
- Phosphodiesterase/cAMP-specific 3',5'-cyclic phosphodiesterase 4A/cAMP-specific 3',5'-cyclic phosphodiesterase 4C/cAMP-specific 3',5'-cyclic phosphodiesterase 4D 2
- High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A 2
- cAMP-specific 3',5'-cyclic phosphodiesterase 4D [372-376,381-715,S375G,I381V,S383G,G384S,V385H,K386M) 1
- cGMP-specific 3',5'-cyclic phosphodiesterase [531-875] 1
- cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A [432-779] 1
- Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A 1
- cAMP-specific 3',5'-cyclic phosphodiesterase 7B [91-450] 1
- High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B 1
- cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B [650-1084] 1
- High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A 1
- Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B 1
- Adenosine receptor A2a/A2b 1
- Adenosine receptor A1 1
- 3',5'-cyclic-AMP phosphodiesterase 1
- Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C/cGMP-specific 3',5'-cyclic phosphodiesterase 1
- cGMP-dependent 3',5'-cyclic phosphodiesterase [574-941] 1
- Bifunctional epoxide hydrolase 2 1
- cAMP-specific 3',5'-cyclic phosphodiesterase 4B [316-320,321-700,S319G,N320S,N321H,T322M] 1
- Isoform 4 of Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A (PDE11A1) 35-489] 1
- Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B/Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C/Phosphodiesterase 1
- High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A [226-593] 1
- cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 1
- ...
Publications 50▿
- Bioorg Med Chem Lett 16: 718-21 (2005) 19
- J Med Chem 51: 5471-89 (2008) 14
- Structure 12: 2233-47 (2004) 11
- J Med Chem 52: 6546-57 (2009) 8
- J Med Chem 59: 7029-65 (2016) 8
- J Med Chem 42: 1088-99 (1999) 6
- Bioorg Med Chem Lett 14: 2955-8 (2004) 5
- Eur J Med Chem 145: 673-690 (2018) 5
- J Med Chem 48: 1237-43 (2005) 5
- J Med Chem 41: 266-70 (1998) 4
- Eur J Med Chem 124: 372-379 (2016) 4
- J Med Chem 43: 4850-67 (2000) 4
- J Med Chem 55: 7525-45 (2012) 4
- Bioorg Med Chem Lett 8: 3229-34 (1999) 4
- Bioorg Med Chem Lett 8: 2635-40 (1999) 4
- J Med Chem 43: 2523-9 (2000) 4
- Eur J Med Chem 204: (2020) 4
- J Med Chem 43: 675-82 (2000) 4
- J Med Chem 33: 2240-54 (1990) 3
- J Med Chem 41: 4021-35 (1998) 3
- J Med Chem 32: 1450-7 (1989) 3
- Bioorg Med Chem Lett 29: (2019) 3
- J Med Chem 40: 1417-21 (1997) 3
- Bioorg Med Chem 23: 7332-9 (2015) 3
- Eur J Med Chem 207: (2020) 3
- J Med Chem 53: 6912-22 (2010) 3
- Bioorg Med Chem Lett 10: 2661-4 (2000) 3
- Eur J Med Chem 224: (2021) 2
- Eur J Med Chem 174: 198-215 (2019) 2
- Bioorg Med Chem Lett 15: 1829-33 (2005) 2
- J Med Chem 34: 291-8 (1991) 2
- Bioorg Med Chem Lett 28: 1188-1193 (2018) 2
- Bioorg Med Chem Lett 12: 653-8 (2002) 2
- Bioorg Med Chem Lett 13: 2347-50 (2003) 2
- Bioorg Med Chem Lett 11: 33-7 (2001) 2
- Bioorg Med Chem Lett 28: 24-30 (2018) 2
- Bioorg Med Chem Lett 13: 2355-8 (2003) 2
- Bioorg Med Chem 25: 1852-1859 (2017) 2
- Bioorg Med Chem Lett 11: 611-4 (2001) 2
- J Med Chem 51: 7673-88 (2008) 2
- Bioorg Med Chem Lett 8: 1867-72 (1998) 2
- J Med Chem 34: 624-8 (1991) 2
- Eur J Med Chem 158: 517-533 (2018) 2
- ACS Med Chem Lett 12: 74-81 (2021) 2
- J Biol Chem 287: 11788-97 (2012) 2
- J Pharmacol Exp Ther 305: 565-72 (2003) 2
- Bioorg Med Chem Lett 10: 2235-8 (2000) 2
- J Med Chem 54: 3331-47 (2011) 2
- J Nat Prod 77: 1928-36 (2014) 2
- Bioorg Med Chem Lett 8: 3053-8 (1998) 2
- ...
Institutions 33▿
- Pfizer 34
- Matrix Laboratories 14
- Plexxikon 11
- South China Agricultural University 10
- RhôNe-Poulenc Rorer 9
- Southern Medical University 9
- University Of Genoa 8
- Tanabe Seiyaku 8
- Universidade Federal Do Rio De Janeiro 8
- Vrije Universiteit Amsterdam 8
- Bristol-Myers Squibb Pharmaceutical Research Institute 7
- Purdue Pharma 5
- Seoul National University 5
- Novartis Horsham Research Center 4
- Novartis Pharma 4
- Zambon Group 4
- Chiroscience 4
- Eisai 4
- Rh£Ne-Poulenc Rorer Central Research 4
- Centre De Neurochimie Du Cnrs 3
- Dipartimento Di Scienze Farmaceutiche, Firenze, Italy. 3
- Janssen-Cilag 2
- University of Tennessee 2
- Padmashri Vikhe Patil College Of Arts 2
- University of North Carolina 2
- Lead Gene 2
- University Of Hyderabad Campus 2
- Korea Institute Of Science And Technology 2
- University Of Glasgow 2
- Max Planck Institute For Developmental Biology 2
- Jagiellonian University Medical College 2
- Georgia State University 2
- Sun Yat-Sen University 2
- ...
Affinity: 0.0023 to 2.7E+6 nM▿
- Ki 29
- IC50 243
- EC50 3
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 1
Catalog Cmpds: 1