Reaction Details Report a problem with these data
Target
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
Ligand
BDBM140142
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.5±n/a
Temperature
277.15±n/a K
IC50
4±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:
BDBM140142
Synonyms:
US8901315, 275
Type:
Small organic molecule
Emp. Form.:
C23H31N5O3S
Mol. Mass.:
457.589
SMILES:
CN1CC(=O)N([C@H]2CC[C@@H](CC2)NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C1=O |r,wU:9.12,wD:6.5,(9.15,.69,;7.81,1.46,;7.81,3,;6.35,3.48,;5.58,4.81,;5.44,2.23,;3.9,2.23,;3.13,3.56,;1.59,3.56,;.82,2.23,;1.59,.9,;3.13,.9,;-.72,2.23,;-1.49,.9,;-.72,-.44,;-3.03,.9,;-3.93,2.14,;-5.4,1.67,;-6.86,2.14,;-7.63,3.48,;-7.77,.9,;-6.86,-.35,;-7.26,-1.84,;-8.75,-2.23,;-9.15,-3.72,;-8.06,-4.81,;-6.57,-4.41,;-6.17,-2.92,;-5.4,.13,;-3.93,-.35,;6.35,.99,;5.58,-.35,)|
Structure:
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