Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPhosphodiesterase
LigandBDBM140100
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
pH6.5±n/a
Temperature277.15±n/a K
IC50 1700±n/a nM
Commentsextracted
Citation Inoue, HMurafuji, HHayashi, Y Thienopyrazole derivative having PDE7 inhibitory activity US Patent US8901315 Publication Date 12/2/2014
More Info.:Get all data from this article,  Assay Method
 
Phosphodiesterase
Name:Phosphodiesterase
Synonyms:Phosphodiesterase 4 (PDE4)
Type:Protein
Mol. Mass.:82059.36
Organism:Mus musculus (Mouse)
Description:Q8VBU5
Residue:721
Sequence:
MTAKNSPKEFTASESEVCIKTFKEQMRLELELPKLPGNRPTSPKISPRSSPRNSPCFFRK
LLVNKSIRQRRRFTVAHTCFDVENGPSPGRSPLDPQAGSSSGLVLHAAFPGHSQRRESFL
YRSDSDYDLSPKAMSRNSSLPSEQHGDDLIVTPFAQVLASLRSVRNNFTLLTNLHGAPNK
RSPAASQAPVSRVSLQEESYQKLAMETLEELDWCLDQLETIQTYRSVSEMASNKFKRMLN
RELTHLSEMSRSGNQVSEYISNTFLDKQNDVEIPSPTQKDREKKKKQQLMTQISGVKKLM
HSSSLNNTSISRFGVNTENEDHLAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQER
DLLKTFKISSDTFVTYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLE
ILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHCDIF
QNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGVLLLDNYTDRIQV
LRNMVHCADLSNPTKSLELYRQWTDRIMEEFFQQGDKERERGMEISPMCDKHTASVEKSQ
VGFIDYIVHPLWETWADLVQPDAQDILDTLEDNRNWYQSMIPQSPSPPLDERSRDCQGLM
EKFQFELTLEEEDSEGPEKEGEGHSYFSSTKTLCVIDPENRDSLEETDIDIATEDKSPID
T
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM140100
n/a
NameBDBM140100
Synonyms:US8901315, 190
TypeSmall organic molecule
Emp. Form.C25H37N5O2S
Mol. Mass.471.659
SMILESCC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:12.16,wD:9.9,(9.99,1.52,;9.22,2.85,;9.99,4.19,;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
Search PDB for entries with ligand similarity:Similarity to this molecule at least: