Reaction Details Report a problem with these data
Target
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
Ligand
BDBM140139
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.5±n/a
Temperature
277.15±n/a K
IC50
8.9±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:
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
Synonyms:
3',5'-cyclic phosphodiesterase | PDE7A | PDE7A_HUMAN | Phosphodiesterase 7 | Phosphodiesterase 7 (PDE7) | Phosphodiesterase 7A | Phosphodiesterase 7A (PDE7A1)
Type:
Enzyme
Mol. Mass.:
55514.96
Organism:
Homo sapiens (Human)
Description:
Q13946
Residue:
482
Sequence:
MEVCYQLPVLPLDRPVPQHVLSRRGAISFSSSSALFGCPNPRQLSQRRGAISYDSSDQTALYIRMLGDVRVRSRAGFESERRGSHPYIDFRIFHSQSEIEVSVSARNIRRLLSFQRYLRSSRFFRGTAVSNSLNILDDDYNGQAKCMLEKVGNWNFDIFLFDRLTNGNSLVSLTFHLFSLHGLIEYFHLDMMKLRRFLVMIQEDYHSQNPYHNAVHAADVTQAMHCYLKEPKLANSVTPWDILLSLIAAATHDLDHPGVNQPFLIKTNHYLATLYKNTSVLENHHWRSAVGLLRESGLFSHLPLESRQQMETQIGALILATDISRQNEYLSLFRSHLDRGDLCLEDTRHRHLVLQMALKCADICNPCRTWELSKQWSEKVTEEFFHQGDIEKKYHLGVSPLCDRHTESIANIQIGFMTYLVEPLFTEWARFSNTRLSQTMLGHVGLNKASWKGLQREQSSSEDTDAAFELNSQLLPQENRLS
  
Inhibitor
Name:
BDBM140139
Synonyms:
US8901315, 271
Type:
Small organic molecule
Emp. Form.:
C22H31N5O2S
Mol. Mass.:
429.579
SMILES:
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCNC1=O |r,wU:18.20,wD:21.27,(-6.96,4.1,;-6.19,2.77,;-7.1,1.52,;-6.19,.27,;-6.59,-1.21,;-8.08,-1.61,;-8.48,-3.1,;-7.39,-4.19,;-5.9,-3.79,;-5.5,-2.3,;-4.73,.75,;-3.27,.27,;-2.36,1.52,;-3.27,2.77,;-4.73,2.29,;-.82,1.52,;-.05,.19,;-.05,2.85,;1.49,2.85,;2.26,4.19,;3.8,4.19,;4.57,2.85,;3.8,1.52,;2.26,1.52,;6.11,2.85,;7.01,4.1,;8.48,3.62,;8.48,2.08,;7.01,1.61,;6.24,.27,)|
Structure:
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