roflumilast [Ligand Id: 6962] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL193240 (B-9302-107, B9302-107, BY217, BY-217, BYK20869, BYK-20869, Daliresp, Daxas, Roflumilast)
  • Class 1 phosphodiesterase PDEB1 in Trypanosoma brucei [ChEMBL: CHEMBL2010636] [UniProtKB: Q8WQX9]
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  • phosphodiesterase 3A/Phosphodiesterase 3A in Human [ChEMBL: CHEMBL241] [GtoPdb: 1298] [UniProtKB: Q14432]
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  • phosphodiesterase 4A/Phosphodiesterase 4A in Human [ChEMBL: CHEMBL254] [GtoPdb: 1300] [UniProtKB: P27815]
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  • phosphodiesterase 4B/Phosphodiesterase 4B in Human [ChEMBL: CHEMBL275] [GtoPdb: 1301] [UniProtKB: Q07343]
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  • phosphodiesterase 4C/Phosphodiesterase 4C in Human [ChEMBL: CHEMBL291] [GtoPdb: 1302] [UniProtKB: Q08493]
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  • phosphodiesterase 4D/Phosphodiesterase 4D in Human [ChEMBL: CHEMBL288] [GtoPdb: 1303] [UniProtKB: Q08499]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Class 1 phosphodiesterase PDEB1 in Trypanosoma brucei (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2010636] [UniProtKB: Q8WQX9]
ChEMBL Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay B 5.5 pKi 3162.28 nM Ki J Med Chem (2018) 61: 3870-3888 [PMID:29672041]
phosphodiesterase 3A/Phosphodiesterase 3A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL241] [GtoPdb: 1298] [UniProtKB: Q14432]
ChEMBL Inhibition of core catalytic domains PDE3A (unknown origin) B 4 pIC50 >100000 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 5311-5316 [PMID:23988356]
phosphodiesterase 4A/Phosphodiesterase 4A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL254] [GtoPdb: 1300] [UniProtKB: P27815]
ChEMBL Inhibition of human PDE4A4 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay B 9.23 pIC50 0.59 nM IC50 Eur. J. Med. Chem. (2011) 46: 4946-4956 [PMID:21871695]
ChEMBL Inhibition of human full length PDE4A4 expressed in baculovirus infected sf21 cells B 9.46 pIC50 0.35 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 4308-4314 [PMID:23806553]
ChEMBL Inhibition of human recombinant PDE4A using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by SPA bead based scintillation counting analysis B 9.68 pIC50 0.21 nM IC50 Eur J Med Chem (2020) 204: 112492-112492 [PMID:32717478]
phosphodiesterase 4B/Phosphodiesterase 4B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL275] [GtoPdb: 1301] [UniProtKB: Q07343]
ChEMBL Inhibition of human PDE4B2 catalytic domain and UCR2 (92 to 521) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintillation counting B 6.17 pIC50 670 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 3261-3264 [PMID:22483586]
ChEMBL Inhibition of human His-tagged PDE4B catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate incubated for 30 mins by scintillation counting method B 7.08 pIC50 84 nM IC50 J Med Chem (2016) 59: 7029-7065 [PMID:26908025]
ChEMBL Inhibition of PDE4B (unknown origin) B 8.89 pIC50 1.3 nM IC50 Eur J Med Chem (2019) 174: 198-215 [PMID:31035240]
ChEMBL Inhibition of core catalytic domains PDE4B (unknown origin) B 8.96 pIC50 1.1 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 5311-5316 [PMID:23988356]
ChEMBL Inhibition of human recombinant PDE4B2 assessed as inhibition of cAMP hydrolysis by colorimetric assay B 9 pIC50 1 nM IC50 Bioorg. Med. Chem. Lett. (2014) 24: 249-253 [PMID:24300734]
ChEMBL Inhibition of human recombinant PDE4B2-mediated cAMP hydrolysis for 30 mins by colorimetric assay B 9 pIC50 1 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 1523-1526 [PMID:22297114]
ChEMBL Inhibition of human PDE4B by ELISA B 9.05 pIC50 0.9 nM IC50 Eur J Med Chem (2018) 148: 477-486 [PMID:29477888]
ChEMBL Inhibition of human U937 cells-derived PDE4B using [3H]-cAMP as substrate after 30 mins B 9.05 pIC50 0.89 nM IC50 Bioorg Med Chem Lett (2018) 28: 1188-1193 [PMID:29545101]
ChEMBL Inhibition of human PDE4B by scintillation counting method B 9.08 pIC50 0.84 nM IC50 J Med Chem (2020) 63: 10594-10617 [PMID:32255344]
ChEMBL Inhibition of human PDE4B B 9.08 pIC50 0.84 nM IC50 Bioorg. Med. Chem. (2010) 18: 2204-2218 [PMID:20188577]
ChEMBL Inhibition of the human PDE4B catalytic domain after 30 mins in presence of [3H]cAMP/[3H]cGMP by scintillation counting B 9.08 pIC50 0.84 nM IC50 J Med Chem (2016) 59: 8712-8756 [PMID:27299736]
ChEMBL Inhibition of human PDE4B2 B 9.1 pIC50 0.8 nM IC50 Bioorg. Med. Chem. Lett. (2014) 24: 249-253 [PMID:24300734]
ChEMBL Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30 mins by colorimetric assay method B 9.1 pIC50 0.8 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 1548-1552 [PMID:23375225]
ChEMBL Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by scintillation proximity assay B 9.15 pIC50 0.7 nM IC50 J Med Chem (2018) 61: 2472-2489 [PMID:29502405]
ChEMBL Inhibition of recombinant human PDE4B1 expressed in African green monkey COS7 cells using cAMP as substrate B 9.15 pIC50 0.7 nM IC50 J Med Chem (2018) 61: 2472-2489 [PMID:29502405]
ChEMBL Inhibition of human PDE4B1 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay B 9.16 pIC50 0.69 nM IC50 Eur. J. Med. Chem. (2011) 46: 4946-4956 [PMID:21871695]
ChEMBL Inhibition of human recombinant PDE4B1 assessed as reduction in [3H]cAMP hydrolysis to [3H]AMP incubated for 60 mins by PDE-SPA assay B 9.16 pIC50 0.69 nM IC50 J Med Chem (2016) 59: 10479-10497 [PMID:27933955]
ChEMBL Inhibition of human recombinant PDE4B (152 to 564 amino acids) using cAMP as substrate after 30 mins by plate reader analysis B 9.31 pIC50 0.49 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 3325-3328 [PMID:23602400]
ChEMBL Inhibition of recombinant human PDE4B using cAMP as substrate after 30 mins B 9.31 pIC50 0.49 nM IC50 Bioorg. Med. Chem. (2013) 21: 7025-7037 [PMID:24094436]
ChEMBL Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay B 9.4 pIC50 0.4 nM IC50 Bioorg. Med. Chem. Lett. (2014) 24: 4594-4597 [PMID:25149511]
GtoPdb - - 9.4 pIC50 - - - Bioorg Med Chem Lett (2009) 19: 1380-5 [PMID:19195882]
ChEMBL Inhibition of human recombinant PDE4B by scintillation proximity assay B 9.4 pIC50 0.4 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 1380-1385 [PMID:19195882]
ChEMBL Inhibition of human recombinant PDE4B by scintillation proximity assay B 9.4 pIC50 0.4 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 5261-5265 [PMID:19656678]
ChEMBL Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation proximity assay B 9.7 pIC50 0.2 nM IC50 Bioorg Med Chem (2016) 24: 5702-5716 [PMID:27713015]
ChEMBL Inhibition of human recombinant PDE4B using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by SPA bead based scintillation counting analysis B 9.82 pIC50 0.15 nM IC50 Eur J Med Chem (2020) 204: 112492-112492 [PMID:32717478]
phosphodiesterase 4C/Phosphodiesterase 4C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL291] [GtoPdb: 1302] [UniProtKB: Q08493]
ChEMBL Inhibition of human recombinant PDE4C using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by SPA bead based scintillation counting analysis B 8.77 pIC50 1.7 nM IC50 Eur J Med Chem (2020) 204: 112492-112492 [PMID:32717478]
phosphodiesterase 4D/Phosphodiesterase 4D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL288] [GtoPdb: 1303] [UniProtKB: Q08499]
ChEMBL Inhibition of human PDE4D2 (86 to 413 residues) catalytic domain using [3H]-cAMP as substrate after 15 mins by liquid scintillation counting method B 6.32 pIC50 480 nM IC50 Eur J Med Chem (2019) 163: 512-526 [PMID:30553143]
ChEMBL Inhibition of human PDE4D2 catalytic domain (86 to 413) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintillation counting B 6.34 pIC50 460 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 3261-3264 [PMID:22483586]
ChEMBL Inhibition of human U937 cells-derived PDE4D using [3H]-cAMP as substrate after 30 mins B 8.96 pIC50 1.1 nM IC50 Bioorg Med Chem Lett (2018) 28: 1188-1193 [PMID:29545101]
ChEMBL Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay B 9.15 pIC50 0.7 nM IC50 Bioorg. Med. Chem. Lett. (2014) 24: 4594-4597 [PMID:25149511]
ChEMBL Inhibition of human PDE4D catalytic domain using [3H]-cAMP or [3H]-cGMP incubated for 30 mins by scintillation counting method B 9.17 pIC50 0.68 nM IC50 EP-2674161-A1. FMO3 inhibitors for treating pain (null)
ChEMBL Inhibition of human PDE4D by scintillation counting method B 9.17 pIC50 0.68 nM IC50 J Med Chem (2020) 63: 10594-10617 [PMID:32255344]
ChEMBL Inhibition of human His-tagged PDE4D catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate incubated for 30 mins by scintillation counting method B 9.17 pIC50 0.68 nM IC50 J Med Chem (2016) 59: 7029-7065 [PMID:26908025]
ChEMBL Inhibition of PDE4D2 (unknown origin) B 9.4 pIC50 0.4 nM IC50 J Med Chem (2020) 63: 3370-3380 [PMID:32115956]
ChEMBL Inhibition of PDE4D (unknown origin) using cAMP as substrate B 9.4 pIC50 0.4 nM IC50 J Med Chem (2019) 62: 5579-5593 [PMID:31099559]
ChEMBL Inhibition of human PDE4D3 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay B 9.57 pIC50 0.27 nM IC50 Eur. J. Med. Chem. (2011) 46: 4946-4956 [PMID:21871695]
ChEMBL Inhibition of PDE4D (unknown origin) B 9.7 pIC50 0.2 nM IC50 Eur J Med Chem (2019) 174: 198-215 [PMID:31035240]
ChEMBL Inhibition of human recombinant PDE4D using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by SPA bead based scintillation counting analysis B 9.89 pIC50 0.13 nM IC50 Eur J Med Chem (2020) 204: 112492-112492 [PMID:32717478]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]