Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
Ligand
BDBM50396765
Substrate
n/a
Meas. Tech.
ChEMBL_864549 (CHEMBL2176529)
IC50
6±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 4D
Synonyms:
3',5'-cyclic phosphodiesterase | DPDE3 | PDE43 | PDE4D | PDE4D_HUMAN | Phosphodiesterase 4D
Type:
Protein
Mol. Mass.:
91092.69
Organism:
Homo sapiens (Human)
Description:
Q08499
Residue:
809
Sequence:
MEAEGSSAPARAGSGEGSDSAGGATLKAPKHLWRHEQHHQYPLRQPQFRLLHPHHHLPPPPPPSPQPQPQCPLQPPPPPPLPPPPPPPGAARGRYASSGATGRVRHRGYSDTERYLYCRAMDRTSYAVETGHRPGLKKSRMSWPSSFQGLRRFDVDNGTSAGRSPLDPMTSPGSGLILQANFVHSQRRESFLYRSDSDYDLSPKSMSRNSSIASDIHGDDLIVTPFAQVLASLRTVRNNFAALTNLQDRAPSKRSPMCNQPSINKATITEEAYQKLASETLEELDWCLDQLETLQTRHSVSEMASNKFKRMLNRELTHLSEMSRSGNQVSEFISNTFLDKQHEVEIPSPTQKEKEKKKRPMSQISGVKKLMHSSSLTNSSIPRFGVKTEQEDVLAKELEDVNKWGLHVFRIAELSGNRPLTVIMHTIFQERDLLKTFKIPVDTLITYLMTLEDHYHADVAYHNNIHAADVVQSTHVLLSTPALEAVFTDLEILAAIFASAIHDVDHPGVSNQFLINTNSELALMYNDSSVLENHHLAVGFKLLQEENCDIFQNLTKKQRQSLRKMVIDIVLATDMSKHMNLLADLKTMVETKKVTSSGVLLLDNYSDRIQVLQNMVHCADLSNPTKPLQLYRQWTDRIMEEFFRQGDRERERGMEISPMCDKHNASVEKSQVGFIDYIVHPLWETWADLVHPDAQDILDTLEDNREWYQSTIPQSPSPAPDDPEEGRQGQTEKFQFELTLEEDGESDTEKDSGSQVEEDTSCSDSKTLCTQDSESTEIPLDEQVEEEAVGEEEESQPEACVIDDRSPDT
  
Inhibitor
Name:
BDBM50396765
Synonyms:
CHEMBL2172376
Type:
Small organic molecule
Emp. Form.:
C22H22N2O2S
Mol. Mass.:
378.487
SMILES:
CSc1cccc(c1)-c1nc(cc2cccnc12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:21.27,wD:18.20,(8.68,-13.64,;8.67,-12.1,;7.34,-11.34,;6,-12.12,;4.66,-11.35,;4.66,-9.81,;6,-9.04,;7.33,-9.8,;6,-7.51,;7.33,-6.73,;7.32,-5.18,;5.99,-4.42,;4.66,-5.2,;3.32,-4.43,;2,-5.2,;1.99,-6.75,;3.33,-7.52,;4.66,-6.74,;8.66,-4.4,;9.99,-5.17,;11.32,-4.4,;11.32,-2.86,;9.98,-2.09,;8.64,-2.87,;12.65,-2.08,;13.98,-2.85,;12.65,-.54,)|
Structure:
Search PDB for entries with ligand similarity: