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Table 6 The activity data and P0-GD model predict affinity data of ten HDAC inhibitors a

From: Screening of selective histone deacetylase inhibitors by proteochemometric modeling

Class I   Class IIa   Class IIb
HDAC2 HDAC8 HDAC4 HDAC7 HDAC6
Pan-HDAC inhibitors
TSA
S W S S S
−0.720 0.342 1.027 0.660 0.087
SAHA
S W S S S
−0.464 −1.092 0.687 1.031 −0.094
Panbinostat(LBH589)
S W S S W
0.742 0.391 0.524 0.347 0.996
Belinostat(PXD-101)
S W S S S
0.327 −0.330 1.183 0.643 1.339
Class I-specific inhibitors
MGCD0103
S N N N N
0.296 −0.946 −0.557 −1.018 −0.963
depsipeptide(FK228)
S nd W nd N
0.954 −0.095 0.687 0.438 −0.167
Apicidin
S W N N N
0.238 0.096 −0.501 −0.176 −0.120
Class II-specific inhibitors
APHA     
nd nd S nd nd
−0.196 −0.089 −0.204 −0.194 0.271
Tubacin
nd nd nd nd S
0.148 −0.687 −0.293 −0.301 1.414
NCT-10a
nd nd W nd S
−0.405 −0.731 0.137 0.159 0.010
  1. a S, W,N and nd is the experimental affinity of inhibitors and the numerical number is the predicted affinity data. Those predicted values larger than 0 are supposed to have inhibition with highlighted.
  2. S strong inhibition.
  3. W weak inhibition.
  4. N no inhibition.
  5. nd no data pubilshed.