Additional File: 63 chemicals in 10 MOA clusters
Cluster I: DNA/RNA-Nucleic Acid Targets
5-Fluorouracil (5-FU)
Gemcitabine HCl
Etoposide phosphate
Doxorubicin
Merbarone
Clofarabine
Hydroxyurea
SN-38
Topotecan
Irinotecan
Cytosine
ABT-888
Mitoxantrone dihydrochloride
CRT0044876
NU7026
Mitomycin C
Cordycepin
Actinomycin D
Cisplatin
Ochratoxin A
Cluster II: Transport ProteinPrimary Activetransporter Targets
Brefeldin A
Exo 1
Leptomycin B
Concanamycin A
Thapsigargin
BHQ
Cluster III: Protein-Actin Targets
Bafilomycin A1
Cytochalasin D
Cytochalasin B
Latrunculin A
Latrunculin B
Cluster IV: Protein-Tubulin Targets
Docetaxel
Paclitaxel
Vincristine Sulfate
Vinblastine sulfate
Cluster V: Ribosome-50S Subunit Targets
Emetine
Puromycin
Anisomycin
Cluster VI: Transport ProteinsElectrochemical Potential-driven Transporters
Oligomycin
Antimycin A
Rotenone
CCCP
Solvent
DMSO
H2 O
DMSO
H2 O
DMSO
H2 O
H2 O
DMSO
DMSO
DMSO
H2 O
DMSO
DMSO
DMSO
DMSO
DMSO
DMSO
DMSO
H2 O
DMSO
Solvent
Concentration(1:3)
200 µM to 3.39 nM
1650 µM to 27.94 nM
200 µM to 3.39 nM
100 µM to 1.69 nM
200 µM to 3.39 nM
25 µM to 0.42 nM
10 µM to 169 nM
200 µM to 3.39 nM
95 µM to 1.61 nM
160 µM to 2.71 nM
8950 µM to 151.57 nM
308 µM to 5.22 nM
150 µM to 2.54 nM
194 µM to 3.29 nM
20 µM to 0.34 nM
200 µM to 3.39 nM
200 µM to 3.39 nM
2 µM to 0.0339 nM
150 µM to 2.54 nM
10 µM to 0.17 nM
Concentration(1:3)
DMSO
DMSO
DMSO
DMSO
DMSO
DMSO
40 µM to 0.68 nM
300 µM to 5.08 nM
20 nM to 0.000339 nM
0.2 µM to 0.003 nM
2 µM to 0.0339 nM
400 µM to 7 nM
DMSO
DMSO
DMSO
DMSO
DMSO
0.3212 µM to 0.01 nM
20 µM to 0.339 nM
20 µM to 0.339 nM
2 µM to 0.0339 nM
2 µM to 0.0339 nM
DMSO
DMSO
H2 O
H2 O
1 µM to 0.02 nM
20 µM to 0.339 nM
250 µM to 4.23 nM
40 µM to 0.68 nM
H2 O
H2 O
H2 O
50 µM to 0.847 nM
1000 µM to 17 nM
10 µM to 0.17 nM
DMSO
DMSO
DMSO
DMSO
20 µM to 0.339 nM
200 µM to 3.387 nM
200 µM to 3.387 nM
100 µM to 1.69 nM
1
Cluster VII: Ion Channel Targets
Valproic acid
BAPT-am
Cluster VIII: Enzyme Targets
Cyclosporin A
FK-506
(S)-HDAC-42
SAHA
W7 HCl
Cluster IX: Receptors
benzo[a]pyrene
Cluster X: Protein- Motor Targets
Monastrol
S-trityl-cysteine
Dimethylenastron
Y-27632
HA1100 hydrochloride
Ro32-3555
Batimastat
MLCKInhibPep18
Blebbistatin
ML7 hydrochloride
FAKInhibitor14
PF573228
PF431396
Solvent
H2 O
DMSO
Concentration(1:3)
50 mM to 847 nM
60 µM to 1 nM
DMSO
DMSO
DMSO
DMSO
DMSO
100 µM to 1.69
50 µM to 1 nM
128 µM to 2.17
151 µM to 2.56
200 µM to 3.39
DMSO
100µM to 1.69 nM
DMSO
DMSO
DMSO
DMSO
H2 O
DMSO
DMSO
H2 O
DMSO
DMSO
H2 O
DMSO
DMSO
100 µM to 1.69 nM
100 µM to 1.69 nM
40 µM to 0.68 nM
188 µM to 3.18 nM
1000µM to 16.94 nM
200 µM to 3.39 nM
200 µM to 3.39 nM
94.5 µM to 1.6 nM
100 µM to 1.69 nM
100 µM to 1.69 nM
2500 µM to 42.34 nM
40 µM to 0.68 nM
5 µM to 0.08 nM
2
nM
nM
nM
nM

中田雅也(Masaya Nakata)