Table 2

Test set molecules for inhibition of vinblastine binding predicted using inhibition of the verapamil binding model

MoleculeObserved IC50Predicted IC50
μM
Verapamil22.62-a
Vinblastine693
Vincristine15390
Actinomycin D1783
Etoposide6120
Paclitaxel24400
LY 31130614.4
Mitomycin C>4005500
Doxorubicin72130
Colchicine893000
TMBY (LY209662)3.286
LY29254044.8
LY2960971.55.5
GF1209180.00972
LY3359840.05392
LY3503440.1272
LY3359770.2974
LY3359810.3396
LY3359800.2594
LY3359790.05993
LY3359830.12100
  • 2-a Molecule in the training set.