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. Author manuscript; available in PMC: 2009 Mar 11.
Published in final edited form as: Comb Chem High Throughput Screen. 2008 Aug;11(7):545–559. doi: 10.2174/138620708785204045

Appendix 1.

Entry No. structure ID Active Tag Scaffold Class qHTS Curve Class qHTS Max Activity qHTS Hill Slope log qEC50 qEC50 (M) Supplier Name Supplier Compound ID Pub Chem SID
1 NCGC00016621-01 T 1 1.1 −11.23 5.90E-12 Prestwick CAS-3093-35-4 11112527
2 NCGC00013661-01 T 1 1.1 90.0 0.65 −7.628 2.36E-08 NCI NSC-53892 4253108
3 NCGC00015507-01 T 1 1.1 123.7 0.55 −6.498 3.18E-07 SigmaAldrich Lopac-H-4001 11111268
4 NCGC00016153-01 T 1 1.1 100.0 0.62 −5.952 1.12E-06 SigmaAldrich Lopac-H-2270 11112032
5 NCGC00016214-01 T 1 1.2 37.8 1.35 −7.782 1.65E-08 Prestwick CAS-50-22-6 11112096
6 NCGC00016215-01 T 1 1.2 60.7 0.70 −7.579 2.63E-08 Prestwick CAS-50-23-7 11112097
7 NCGC00016476-01 T 1 1.2 74.0 0.75 −6.953 1.11E-07 Prestwick CAS-514-36-3 11112377
8 NCGC00015222-01 T 1 1.2 64.0 0.77 −6.747 1.79E-07 SigmaAldrich Lopac-C-2505 11110926
9 NCGC00015886-01 T 1 1.2 41.2 0.59 −6.363 4.34E-07 SigmaAldrich Lopac-R-0500 11111729
10 NCGC00016586-01 T 1 1.3 104.7 0.69 −7.725 1.88E-08 Prestwick CAS-1524-88-5 11112491
11 NCGC00013220-01 T 1 2.2 100.0 0.54 −6.215 6.10E-07 NCI NSC-17245 4252667
12 NCGC00013112-01 T 1 2.2 100.0 0.50 −6.147 7.12E-07 NCI NSC-10483 4252559
13 NCGC00015785-01 T 1 2.2 100.0 0.38 −3.652 0.000223 SigmaAldrich Lopac-P-0130 11111592
14 NCGC00015510-01 T 1 2.2 100.0 0.35 −3.42 0.00038 SigmaAldrich Lopac-H-5752 11111272
15 NCGC00016616-01 T 1 2.4 100.0 0.13 −5.381 4.16E-06 Prestwick CAS-2668-66-8 11112522
16 NCGC00013301-01 F 1 4 1.26 −3.035 0.000922 NCI NSC-23904 4252748
17 NCGC00013824-01 F 1 4 −3.035 0.000922 NCI NSC-75541 4253271
18 NCGC00013849-01 F 1 4 −3.035 0.000922 NCI NSC-79103 4253296
19 NCGC00013931-01 F 1 4 −3.035 0.000922 NCI NSC-88915 4253378
20 NCGC00014099-01 F 1 4 −3.035 0.000922 NCI NSC-109131 4253546
21 NCGC00014152-01 F 1 4 −3.035 0.000922 NCI NSC-114792 4253599
22 NCGC00016236-01 F 1 4 −2.686 0.002061 Prestwick CAS-53-06-5 11112118
23 NCGC00016253-01 F 1 4 −2.686 0.002061 Prestwick CAS-57-83-0 11112137
24 NCGC00016292-01 F 1 4 −2.686 0.002061 Prestwick CAS-64-85-7 11112177
25 NCGC00015224-01 F 1 4 −2.336 0.004608 SigmaAldrich Lopac-C-2755 11110928
26 NCGC00015228-01 F 1 4 −2.336 0.004608 SigmaAldrich Lopac-C-3130 11110933
27 NCGC00016604-01 T 2 1.1 0.50 −11.23 5.90E-12 Prestwick CAS-2135-17-3 11112510
28 NCGC00016788-01 T 2 1.1 −11.23 5.90E-12 Prestwick CAS-25122-46-7 11112699
29 NCGC00016950-01 T 2 1.1 −11.23 5.90E-12 Prestwick CAS-83919-23-7 11112866
30 NCGC00013438-01 T 2 1.1 85.0 0.79 −8.636 2.31E-09 NCI NSC-37641 4252885
31 NCGC00015165-01 T 2 1.1 146.8 1.08 −8.312 4.87E-09 SigmaAldrich Lopac-B-7777 11110860
32 NCGC00016442-01 T 2 1.1 84.0 0.63 −8.086 8.21E-09 Prestwick CAS-426-13-1 11112339
33 NCGC00025017-01 T 2 1.1 99.4 1.27 −8.047 8.97E-09 Tocris Tocris-1126 11113934
34 NCGC00016439-01 T 2 1.1 96.5 0.89 −7.634 2.33E-08 Prestwick CAS-378-44-9 11112336
35 NCGC00016216-01 T 2 1.1 67.7 1.02 −7.53 2.95E-08 Prestwick CAS-50-24-8 11112098
36 NCGC00015136-01 T 2 1.1 105.1 0.67 −7.278 5.27E-08 SigmaAldrich Lopac-B-0385 11110827
37 NCGC00015161-01 T 2 1.1 156.2 0.56 −7.25 5.62E-08 SigmaAldrich Lopac-B-7005 11110856
38 NCGC00016822-01 T 2 1.1 80.7 0.44 −7.111 7.75E-08 Prestwick CAS-33564-31-7 11112734
39 NCGC00016037-01 T 2 1.1 113.5 1.03 −6.563 2.73E-07 SigmaAldrich Lopac-T-6376 11111903
40 NCGC00016330-01 T 2 1.2 63.5 0.98 −7.457 3.49E-08 Prestwick CAS-83-43-2 11112219
41 NCGC00016566-01 T 2 1.2 64.9 1.69 −7.265 5.43E-08 Prestwick CAS-1177-87-3 11112471
42 NCGC00016376-01 T 2 1.2 67.5 1.15 −7.082 8.27E-08 Prestwick CAS-124-94-7 11112269
43 NCGC00016862-01 T 2 1.3 104.0 0.76 −8.701 1.99E-09 Prestwick CAS-51333-22-3 11112776
44 NCGC00016856-01 T 2 1.3 77.5 0.52 −8.507 3.11E-09 Prestwick CAS-49697-38-3 11112770
45 NCGC00016983-01 T 2 1.3 97.1 0.57 −8.315 4.85E-09 Prestwick CAS-542449 11112899
46 NCGC00016990-01 T 2 1.3 64.5 1.18 −7.909 1.23E-08 Prestwick CAS-1327543 11112906
47 NCGC00016433-01 T 2 1.3 80.8 0.52 −7.456 3.50E-08 Prestwick CAS-338-98-7 11112330
48 NCGC00016824-01 T 2 1.4 53.9 0.52 −8.69 2.04E-09 Prestwick CAS-34097-16-0 11112736
49 NCGC00016926-01 T 2 1.4 30.2 0.96 −8.025 9.44E-09 Prestwick CAS-73771-04-7 11112841
50 NCGC00016436-01 T 2 1.4 47.0 - −7.893 1.28E-08 Prestwick CAS-356-12-7 11112333
51 NCGC00016984-01 T 2 2.1 100.0 0.34 −6.097 8.01E-07 Prestwick CAS-667634-13-2 11112900
52 NCGC00013947-01 T 2 2.1 200.0 1.30 −5.5 3.16E-06 NCI NSC-90616 4253394
53 NCGC00025343-01 T Misc 1.1 −11.23 5.90E-12 Tocris Tocris-2007 11114264
54 NCGC00016943-01 T Misc 1.3 115.3 1.50 −9.43 3.72E-10 Prestwick CAS-80474-14-2 11112859
55 NCGC00015700-01 T Misc 1.4 25.5 2.07 −8.59 2.57E-09 SigmaAldrich Lopac-M-8046 11111492
56 NCGC00016516-01 T Misc 1.4 47.2 0.49 −7.254 5.57E-08 Prestwick CAS-595-33-5 11112421
57 NCGC00013946-01 T Misc 2.1 200.0 1.36 −5.133 7.37E-06 NCI NSC-90615 4253393
58 NCGC00025179-01 T Misc 2.4 100.0 2.34 −4.408 3.91E-05 Tocris Tocris-1479 11114100
59 NCGC00013010-01 F 3 4 −3.035 0.000922 NCI NSC-1614 4252457
60 NCGC00013092-01 F 3 4 −3.035 0.000922 NCI NSC-8797 4252539
61 NCGC00013426-01 F 3 4 −3.035 0.000922 NCI NSC-36819 4252873
62 NCGC00013541-01 F 3 4 −3.035 0.000922 NCI NSC-45236 4252988
63 NCGC00013657-01 F 3 4 −3.035 0.000922 NCI NSC-53396 4253104
64 NCGC00013708-01 F 3 4 −3.035 0.000922 NCI NSC-59276 4253155
65 NCGC00013713-01 F 3 4 −3.035 0.000922 NCI NSC-59620 4253160
66 NCGC00013740-01 F 3 4 −3.035 0.000922 NCI NSC-63558 4253187
67 NCGC00013804-01 F 3 4 −3.035 0.000922 NCI NSC-73109 4253251
68 NCGC00013865-01 F 3 4 −3.035 0.000922 NCI NSC-82802 4253312
69 NCGC00013974-01 F 3 4 −3.035 0.000922 NCI NSC-93241 4253421
70 NCGC00014098-01 F 3 4 −3.035 0.000922 NCI NSC-109128 4253545
71 NCGC00014902-01 F 3 4 −3.035 0.000922 NCI NSC-407807 4254349
72 NCGC00014987-01 F 3 4 −3.035 0.000922 NCI NSC-683770 4254434
73 NCGC00016238-01 F 3 4 −2.686 0.002061 Prestwick CAS-53-41-8 11112120
74 NCGC00016238-02 F 3 4 −2.686 0.002061 Prestwick CAS-53-42-9 11112121
75 NCGC00016238-03 F 3 4 −2.686 0.002061 Prestwick CAS-481-29-8 11112122
76 NCGC00016295-01 F 3 4 −2.686 0.002061 Prestwick CAS-66-28-4 11112183
77 NCGC00016319-01 F 3 4 −2.686 0.002061 Prestwick CAS-77-59-8 11112208
78 NCGC00016387-01 F 3 4 −2.686 0.002061 Prestwick CAS-128-13-2 11112280
79 NCGC00016387-02 F 3 4 −2.686 0.002061 Prestwick CAS-474-25-9 11112281
80 NCGC00016406-01 F 3 4 −2.686 0.002061 Prestwick CAS-143-62-4 11112300
81 NCGC00016445-01 F 3 4 −2.686 0.002061 Prestwick CAS-434-13-9 11112342
82 NCGC00016448-01 F 3 4 −2.686 0.002061 Prestwick CAS-467-55-0 11112345
83 NCGC00016452-01 F 3 4 −2.686 0.002061 Prestwick CAS-475-31-0 11112349
84 NCGC00016524-01 F 3 4 −2.686 0.002061 Prestwick CAS-630-64-8 11112429
85 NCGC00016591-01 F 3 4 −2.686 0.002061 Prestwick CAS-1672-46-4 11112497
86 NCGC00016716-01 F 3 4 −2.686 0.002061 Prestwick CAS-15500-66-0 11112624
87 NCGC00016782-01 F 3 4 −2.686 0.002061 Prestwick CAS-23930-19-0 11112692
88 NCGC00016783-01 F 3 4 −2.686 0.002061 Prestwick CAS-23930-37-2 11112693
89 NCGC00017076-01 F 3 4 −2.686 0.002061 Prestwick CAS-11018-89-6 11112992
90 NCGC00015090-01 F 3 4 −2.336 0.004608 SigmaAldrich Lopac-A-7755 11110776
91 NCGC00015112-01 F 3 4 −2.336 0.004608 SigmaAldrich Lopac-A-9755 11110802
92 NCGC00015804-01 F 3 4 −2.336 0.004608 SigmaAldrich Lopac-P-1918 11111617
93 NCGC00015805-01 F 3 4 −2.336 0.004608 SigmaAldrich Lopac-P-2016 11111618
94 NCGC00015820-01 F 3 4 −2.336 0.004608 SigmaAldrich Lopac-P-5052 11111636
95 NCGC00015853-01 F 3 4 −2.336 0.004608 SigmaAldrich Lopac-P-8887 11111682
96 NCGC00016061-01 F 3 4 −2.336 0.004608 SigmaAldrich Lopac-T-9034 11111930
97 NCGC00017282-01 F 3 4 −2.336 0.004608 Timtec TNP00197 11113200
98 NCGC00017309-01 F 3 4 −2.336 0.004608 Timtec TNP00235 11113227
99 NCGC00024736-01 F 3 4 −2.336 0.004608 Tocris Tocris-0693 11113650
100 NCGC00013034-01 F 4 4 −3.035 0.000922 NCI NSC-3354 4252481
101 NCGC00013235-01 F 4 4 −3.035 0.000922 NCI NSC-18312 4252682
102 NCGC00013236-01 F 4 4 −3.035 0.000922 NCI NSC-18320 4252683
103 NCGC00013333-01 F 4 4 −3.035 0.000922 NCI NSC-26645 4252780
104 NCGC00013908-01 F 4 4 −3.035 0.000922 NCI NSC-86467 4253355
105 NCGC00014013-01 F 4 4 −3.035 0.000922 NCI NSC-97845 4253460
106 NCGC00014107-01 F 4 4 −3.035 0.000922 NCI NSC-109509 4253554
107 NCGC00014125-01 F 4 4 −3.035 0.000922 NCI NSC-112737 4253572
108 NCGC00017797-01 F 4 4 −3.035 0.000922 BUCMLD BUCMLD-JRG-1-179
109 NCGC00016217-01 F 4 4 −2.686 0.002061 Prestwick CAS-50-27-1 11112099
110 NCGC00016218-01 F 4 4 −2.686 0.002061 Prestwick CAS-50-28-2 11112100
111 NCGC00016237-01 F 4 4 −2.686 0.002061 Prestwick CAS-53-16-7 11112119
112 NCGC00016310-01 F 4 4 −2.686 0.002061 Prestwick CAS-72-33-3 11112199
113 NCGC00016682-01 F 4 4 −2.686 0.002061 Prestwick CAS-7280-37-7 11112590
114 NCGC00015422-01 F 4 4 −2.336 0.004608 SigmaAldrich Lopac-E-8875 11111161
115 NCGC00015423-01 F 4 4 −2.336 0.004608 SigmaAldrich Lopac-E-9750 11111162
116 NCGC00015690-01 F 4 4 −2.336 0.004608 SigmaAldrich Lopac-M-6383 11111479
117 NCGC00016078-01 F 4 4 −2.336 0.004608 SigmaAldrich Lopac-U-6756 11111950
118 NCGC00024964-01 F 4 4 −2.336 0.004608 Tocris Tocris-1047 11113880
119 NCGC00025091-01 F 4 4 −2.336 0.004608 Tocris Tocris-1268 11114009
120 NCGC00025300-01 F 4 4 −2.336 0.004608 Tocris Tocris-1807 11114221
121 NCGC00016444-01 F 5 4 15.2 0.97 −7.266 5.43E-08 Prestwick CAS-434-03-7 11112341
122 NCGC00013637-01 F 5 4 −3.035 0.000922 NCI NSC-51182 4253084
123 NCGC00013978-01 F 5 4 −3.035 0.000922 NCI NSC-93354 4253425
124 NCGC00013979-01 F 5 4 −3.035 0.000922 NCI NSC-93355 4253426
125 NCGC00016231-01 F 5 4 −2.686 0.002061 Prestwick CAS-52-01-7 11112113
126 NCGC00016254-01 F 5 4 −2.686 0.002061 Prestwick CAS-57-85-2 11112138
127 NCGC00016440-01 F 5 4 −2.686 0.002061 Prestwick CAS-382-45-6 11112337
128 NCGC00015070-01 F 5 4 −2.336 0.004608 SigmaAldrich Lopac-A-5791 11110752
129 NCGC00015109-01 F 5 4 −2.336 0.004608 SigmaAldrich Lopac-A-9630 11110799
130 NCGC00015474-01 F 5 4 −2.336 0.004608 SigmaAldrich Lopac-G-5168 11111228
131 NCGC00015948-01 F 5 4 −2.336 0.004608 SigmaAldrich Lopac-S-3378 11111798
132 NCGC00025253-01 F 5 4 −2.336 0.004608 Tocris Tocris-1672 11114174
133 NCGC00013542-01 F 6 4 −3.035 0.000922 NCI NSC-45238 4252989
134 NCGC00013601-01 F 6 4 −3.035 0.000922 NCI NSC-48630 4253048
135 NCGC00013669-01 F 6 4 −3.035 0.000922 NCI NSC-54340 4253116
136 NCGC00013726-01 F 6 4 −3.035 0.000922 NCI NSC-62349 4253173
137 NCGC00013777-01 F 6 4 −3.035 0.000922 NCI NSC-69298 4253224
138 NCGC00013779-01 F 6 4 −3.035 0.000922 NCI NSC-69540 4253226
139 NCGC00013830-01 F 6 4 −3.035 0.000922 NCI NSC-76026 4253277
140 NCGC00013866-01 F 6 4 −3.035 0.000922 NCI NSC-82803 4253313
141 NCGC00014002-01 F 6 4 −3.035 0.000922 NCI NSC-96021 4253449
142 NCGC00014519-01 F 6 4 −3.035 0.000922 NCI NSC-179187 4253966
143 NCGC00016331-01 F 6 4 −2.686 0.002061 Prestwick CAS-83-46-5 11112220
144 NCGC00016381-01 F 6 4 −2.686 0.002061 Prestwick CAS-126-17-0 11112274
145 NCGC00016409-01 F 6 4 −2.686 0.002061 Prestwick CAS-145-13-1 11112303
146 NCGC00016502-01 F 6 4 −2.686 0.002061 Prestwick CAS-546-06-5 11112407
147 NCGC00016544-01 F 6 4 −2.686 0.002061 Prestwick CAS-853-23-6 11112449
148 NCGC00015341-01 F 6 4 −2.336 0.004608 SigmaAldrich Lopac-D-4000 11111068
149 NCGC00016143-01 F 6 4 −2.336 0.004608 SigmaAldrich Lopac-D-5297 11112022
150 NCGC00016184-01 F 6 4 −2.336 0.004608 SigmaAldrich Lopac-P-162 11112065
151 NCGC00017170-01 F 6 4 −2.336 0.004608 Timtec TNP00027 11113086
152 NCGC00025241-01 F 6 4 −2.336 0.004608 Tocris Tocris-1638 11114162
153 NCGC00016884-01 F Misc 4 15.6 0.57 −6.634 2.32E-07 Prestwick CAS-58652-20-3 11112799
154 NCGC00013099-01 F Misc 4 −3.035 0.000922 NCI NSC-9746 4252546
155 NCGC00013199-01 F Misc 4 −3.035 0.000922 NCI NSC-15520 4252646
156 NCGC00013292-01 F Misc 4 −3.035 0.000922 NCI NSC-23159 4252739
157 NCGC00013302-01 F Misc 4 −3.035 0.000922 NCI NSC-23922 4252749
158 NCGC00013585-01 F Misc 4 −3.035 0.000922 NCI NSC-48010 4253032
159 NCGC00013734-01 F Misc 4 −3.035 0.000922 NCI NSC-62791 4253181
160 NCGC00013793-01 F Misc 4 −3.035 0.000922 NCI NSC-72254 4253240
161 NCGC00013902-01 F Misc 4 −3.035 0.000922 NCI NSC-86008 4253349
162 NCGC00013920-01 F Misc 4 −3.035 0.000922 NCI NSC-88135 4253367
163 NCGC00014231-01 F Misc 4 −3.035 0.000922 NCI NSC-121137 4253678
164 NCGC00014911-01 F Misc 4 −3.035 0.000922 NCI NSC-521777 4254358
165 NCGC00016233-01 F Misc 4 −2.686 0.002061 Prestwick CAS-52-76-6 11112115
166 NCGC00016235-01 F Misc 4 −2.686 0.002061 Prestwick CAS-53-03-2 11112117
167 NCGC00016303-01 F Misc 4 −2.686 0.002061 Prestwick CAS-68-22-4 11112191
168 NCGC00016304-01 F Misc 4 −2.686 0.002061 Prestwick CAS-68-23-5 11112192
169 NCGC00016318-01 F Misc 4 −2.686 0.002061 Prestwick CAS-77-52-1 11112207
170 NCGC00016413-01 F Misc 4 −2.686 0.002061 Prestwick CAS-152-62-5 11112307
171 NCGC00016417-01 F Misc 4 −2.686 0.002061 Prestwick CAS-297-76-7 11112312
172 NCGC00016443-01 F Misc 4 −2.686 0.002061 Prestwick CAS-427-51-0 11112340
173 NCGC00016447-01 F Misc 4 −2.686 0.002061 Prestwick CAS-466-06-8 11112344
174 NCGC00016449-01 F Misc 4 −2.686 0.002061 Prestwick CAS-472-15-1 11112346
175 NCGC00016450-01 F Misc 4 −2.686 0.002061 Prestwick CAS-473-98-3 11112347
176 NCGC00016451-01 F Misc 4 −2.686 0.002061 Prestwick CAS-474-86-2 11112348
177 NCGC00016540-01 F Misc 4 −2.686 0.002061 Prestwick CAS-797-63-7 11112445
178 NCGC00016609-01 F Misc 4 −2.686 0.002061 Prestwick CAS-2363-58-8 11112515
179 NCGC00016726-01 F Misc 4 −2.686 0.002061 Prestwick CAS-17230-88-5 11112635
180 NCGC00016952-01 F Misc 4 −2.686 0.002061 Prestwick CAS-84371-65-3 11112868
181 NCGC00017016-01 F Misc 4 −2.686 0.002061 Prestwick CAS-81-23-2 11112932
182 NCGC00017030-01 F Misc 4 −2.686 0.002061 Prestwick CAS-751-94-0 11112946
183 NCGC00017073-01 F Misc 4 −2.686 0.002061 Prestwick CAS-7421-40-1 11112989
184 NCGC00017146-01 F Misc 4 −2.686 0.002061 Prestwick CAS-102731 11113062
185 NCGC00015230-01 F Misc 4 40.0 0.28 −2.336 0.004608 SigmaAldrich Lopac-C-3412 11110935
186 NCGC00015375-01 F Misc 4 −2.336 0.004608 SigmaAldrich Lopac-D-8399 11111105
187 NCGC00015377-01 F Misc 4 −2.336 0.004608 SigmaAldrich Lopac-D-8690 11111107
188 NCGC00016076-01 F Misc 4 −2.336 0.004608 SigmaAldrich Lopac-U-5882 11111948
189 NCGC00016090-01 F Misc 4 −2.336 0.004608 SigmaAldrich Lopac-W-104 11111962
190 NCGC00016148-01 F Misc 4 −2.336 0.004608 SigmaAldrich Lopac-F-0881 11112027
191 NCGC00017165-01 F Misc 4 −2.336 0.004608 Timtec TNP00020 11113081
192 NCGC00017222-01 F Misc 4 −2.336 0.004608 Timtec TNP00102 11113139
193 NCGC00017223-01 F Misc 4 −2.336 0.004608 Timtec TNP00103 11113140
194 NCGC00017244-01 F Misc 4 −2.336 0.004608 Timtec TNP00130 11113161
195 NCGC00017307-01 F Misc 4 −2.336 0.004608 Timtec TNP00233 11113225
196 NCGC00017359-01 F Misc 4 −2.336 0.004608 Timtec TNP00303 11113278
197 NCGC00024732-01 F Misc 4 −2.336 0.004608 Tocris Tocris-0687 11113646