Reaction Details Report a problem with these data
Target
Phosphodiesterase
Ligand
BDBM140088
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6.5±n/a
Temperature
277.15±n/a K
IC50
1000±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:
BDBM140088
Synonyms:
US8901315, 167
Type:
Small organic molecule
Emp. Form.:
C25H39N5OS
Mol. Mass.:
457.675
SMILES:
CN1CCCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:11.15,wD:8.8,(9.65,1.12,;8.31,1.89,;8.31,3.43,;7.11,4.39,;5.61,4.04,;4.94,2.66,;5.61,1.27,;7.11,.93,;3.4,2.66,;2.63,3.99,;1.09,3.99,;.32,2.66,;1.09,1.32,;2.63,1.32,;-1.22,2.66,;-1.99,1.32,;-1.22,-.01,;-3.53,1.32,;-4.43,2.57,;-5.9,2.09,;-7.36,2.57,;-8.13,3.9,;-8.27,1.32,;-7.36,.08,;-7.76,-1.41,;-9.25,-1.81,;-9.65,-3.3,;-8.56,-4.39,;-7.07,-3.99,;-6.67,-2.5,;-5.9,.55,;-4.43,.08,)|
Structure:
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