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Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
Ligand
BDBM50396762
Substrate
n/a
Meas. Tech.
ChEMBL_864551 (CHEMBL2176531)
IC50
107±n/a nM
Citation
 Press, NJ; Taylor, RJ; Fullerton, JD; Tranter, P; McCarthy, C; Keller, TH; Arnold, N; Beer, D; Brown, L; Cheung, R; Christie, J; Denholm, A; Haberthuer, S; Hatto, JD; Keenan, M; Mercer, MK; Oakman, H; Sahri, H; Tuffnell, AR; Tweed, M; Tyler, JW; Wagner, T; Fozard, JR; Trifilieff, A Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem 55:7472-9 (2012) [PubMed]  Article 
Target
Name:
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
Synonyms:
3',5'-cyclic phosphodiesterase | DPDE2 | PDE46 | PDE4A | PDE4A_HUMAN | Phosphodiesterase 4 (PDE4) | Phosphodiesterase 4A | Phosphodiesterase 4A (PDE4)
Type:
Enzyme
Mol. Mass.:
98113.27
Organism:
Homo sapiens (Human)
Description:
P27815
Residue:
886
Sequence:
MEPPTVPSERSLSLSLPGPREGQATLKPPPQHLWRQPRTPIRIQQRGYSDSAERAERERQPHRPIERADAMDTSDRPGLRTTRMSWPSSFHGTGTGSGGAGGGSSRRFEAENGPTPSPGRSPLDSQASPGLVLHAGAATSQRRESFLYRSDSDYDMSPKTMSRNSSVTSEAHAEDLIVTPFAQVLASLRSVRSNFSLLTNVPVPSNKRSPLGGPTPVCKATLSEETCQQLARETLEELDWCLEQLETMQTYRSVSEMASHKFKRMLNRELTHLSEMSRSGNQVSEYISTTFLDKQNEVEIPSPTMKEREKQQAPRPRPSQPPPPPVPHLQPMSQITGLKKLMHSNSLNNSNIPRFGVKTDQEELLAQELENLNKWGLNIFCVSDYAGGRSLTCIMYMIFQERDLLKKFRIPVDTMVTYMLTLEDHYHADVAYHNSLHAADVLQSTHVLLATPALDAVFTDLEILAALFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEDNCDIFQNLSKRQRQSLRKMVIDMVLATDMSKHMTLLADLKTMVETKKVTSSGVLLLDNYSDRIQVLRNMVHCADLSNPTKPLELYRQWTDRIMAEFFQQGDRERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWETWADLVHPDAQEILDTLEDNRDWYYSAIRQSPSPPPEEESRGPGHPPLPDKFQFELTLEEEEEEEISMAQIPCTAQEALTAQGLSGVEEALDATIAWEASPAQESLEVMAQEASLEAELEAVYLTQQAQSTGSAPVAPDEFSSREEFVVAVSHSSPSALALQSPLLPAWRTLSVSEHAPGLPGLPSTAAEVEAQREHQAAKRACSACAGTFGEDTSALPAPGGGGSGGDPT
  
Inhibitor
Name:
BDBM50396762
Synonyms:
CHEMBL2172373
Type:
Small organic molecule
Emp. Form.:
C22H19F3N2O3
Mol. Mass.:
416.3931
SMILES:
OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(OC(F)(F)F)c1 |r,wU:3.2,wD:6.9,(13.43,-15.19,;12.09,-14.42,;12.09,-12.88,;10.76,-15.2,;10.76,-16.74,;9.44,-17.51,;8.1,-16.75,;8.09,-15.21,;9.42,-14.43,;6.76,-17.53,;5.43,-16.77,;4.1,-17.54,;2.76,-16.78,;1.44,-17.55,;1.43,-19.09,;2.77,-19.86,;4.1,-19.08,;5.44,-19.85,;6.77,-19.08,;5.44,-21.38,;4.1,-22.16,;4.11,-23.69,;5.44,-24.46,;6.78,-23.68,;8.12,-24.44,;8.13,-25.98,;9.46,-26.75,;6.8,-26.76,;8.11,-27.52,;6.77,-22.15,)|
Structure:
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