Reaction Details Report a problem with these data
Target
Phosphodiesterase
Ligand
BDBM140072
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6.5±n/a
Temperature
277.15±n/a K
IC50
10000±n/a nM
Comments
extracted
Citation
 Inoue, H; Murafuji, H; Hayashi, Y Thienopyrazole derivative having PDE7 inhibitory activity US Patent  US8901315 Publication Date 12/2/2014 
Target
Name:
Phosphodiesterase
Synonyms:
Phosphodiesterase 4 (PDE4)
Type:
Protein
Mol. Mass.:
82059.36
Organism:
Mus musculus (Mouse)
Description:
Q8VBU5
Residue:
721
Sequence:
MTAKNSPKEFTASESEVCIKTFKEQMRLELELPKLPGNRPTSPKISPRSSPRNSPCFFRKLLVNKSIRQRRRFTVAHTCFDVENGPSPGRSPLDPQAGSSSGLVLHAAFPGHSQRRESFLYRSDSDYDLSPKAMSRNSSLPSEQHGDDLIVTPFAQVLASLRSVRNNFTLLTNLHGAPNKRSPAASQAPVSRVSLQEESYQKLAMETLEELDWCLDQLETIQTYRSVSEMASNKFKRMLNRELTHLSEMSRSGNQVSEYISNTFLDKQNDVEIPSPTQKDREKKKKQQLMTQISGVKKLMHSSSLNNTSISRFGVNTENEDHLAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQERDLLKTFKISSDTFVTYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHCDIFQNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWTDRIMEEFFQQGDKERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWETWADLVQPDAQDILDTLEDNRNWYQSMIPQSPSPPLDERSRDCQGLMEKFQFELTLEEEDSEGPEKEGEGHSYFSSTKTLCVIDPENRDSLEETDIDIATEDKSPIDT
  
Inhibitor
Name:
BDBM140072
Synonyms:
US8901315, 132
Type:
Small organic molecule
Emp. Form.:
C19H28N4OS
Mol. Mass.:
360.517
SMILES:
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)NC1CC[C@H](N)CC1 |r,wD:21.24,(-5.78,4.1,;-5.01,2.77,;-5.92,1.52,;-5.01,.27,;-5.41,-1.21,;-6.9,-1.61,;-7.29,-3.1,;-6.21,-4.19,;-4.72,-3.79,;-4.32,-2.3,;-3.55,.75,;-2.08,.27,;-1.18,1.52,;-2.08,2.77,;-3.55,2.29,;.36,1.52,;1.13,.19,;1.13,2.85,;2.67,2.85,;3.44,4.19,;4.98,4.19,;5.75,2.85,;7.29,2.85,;4.98,1.52,;3.44,1.52,)|
Structure:
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