Reaction Details Report a problem with these data
Target
Phosphodiesterase
Ligand
BDBM140095
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6.5±n/a
Temperature
277.15±n/a K
IC50
750±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:
BDBM140095
Synonyms:
US8901315, 179
Type:
Small organic molecule
Emp. Form.:
C25H39N5OS
Mol. Mass.:
457.675
SMILES:
CNC1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:11.15,wD:8.8,(9.99,4.19,;9.22,2.85,;7.68,2.85,;6.91,1.52,;5.37,1.52,;4.6,2.85,;5.37,4.19,;6.91,4.19,;3.06,2.85,;2.29,4.19,;.75,4.19,;-.02,2.85,;.75,1.52,;2.29,1.52,;-1.56,2.85,;-2.33,1.52,;-1.56,.19,;-3.87,1.52,;-4.78,2.77,;-6.24,2.29,;-7.7,2.77,;-8.47,4.1,;-8.61,1.52,;-7.7,.27,;-8.1,-1.21,;-9.59,-1.61,;-9.99,-3.1,;-8.9,-4.19,;-7.41,-3.79,;-7.01,-2.3,;-6.24,.75,;-4.78,.27,)|
Structure:
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