Ki Summary

Reaction Details

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Target

Phosphodiesterase

Ligand

BDBM140096

Substrate/Competitor

n/a

Meas. Tech.

Inhibition Assay

6.5±n/a

Temperature

277.15±n/a K

IC50

1400±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

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

BDBM140096

n/a

Name

BDBM140096

Synonyms:

US8901315, 180

Type

Small organic molecule

Emp. Form.

C27H41N5O2S

Mol. Mass.

499.712

SMILES

CN(C1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1)C(C)=O |r,wU:11.15,wD:8.8,(9.22,4.19,;8.45,2.85,;6.91,2.85,;6.14,1.52,;4.6,1.52,;3.83,2.85,;4.6,4.19,;6.14,4.19,;2.29,2.85,;1.52,4.19,;-.02,4.19,;-.79,2.85,;-.02,1.52,;1.52,1.52,;-2.33,2.85,;-3.1,1.52,;-2.33,.19,;-4.64,1.52,;-5.55,2.77,;-7.01,2.29,;-8.47,2.77,;-9.24,4.1,;-9.38,1.52,;-8.47,.27,;-8.87,-1.21,;-10.36,-1.61,;-10.76,-3.1,;-9.67,-4.19,;-8.18,-3.79,;-7.78,-2.3,;-7.01,.75,;-5.55,.27,;9.22,1.52,;10.76,1.52,;8.45,.19,)|

Structure