A Review of the Updated Pharmacophore for the Alpha 5 GABA(A) Benzodiazepine Receptor Model
Table 7
Ligands with potent affinity for ; ligands bound with values <20 nM at this subtype. The structures of these ligands are in the Ph.D. thesis of Clayton (2011) [22].
Cook code
QH-II-085
0.08
0.06
0.02
ND
0.08
ND
SH-TSC-2 (BCCT)
0.03
0.0419
0.035
ND
69.32
ND
QH-II-092
0.07
0.03
0.04
ND
0.17
ND
QH-II-077
0.06
0.08
0.05
ND
0.12
4
YT-II-76
95.34
2.797
0.056
ND
0.04
ND
PWZ-007A
0.11
0.1
0.09
ND
0.2
10
XLI-286
0.051
0.064
0.118
ND
0.684
ND
QH-II-090 (CGS-8216)
0.05
0.08
0.12
ND
0.25
17
PWZ-0071
0.23
0.17
0.12
ND
0.44
17.31
JYI-57
0.076
0.076
0.131
ND
0.036
ND
BRETAZENIL
0.35
0.64
0.2
ND
0.5
12.7
PZII-028
0.2
ND
0.2
ND
0.32
1.9
QH-II-075
0.18
0.21
0.25
ND
1.3
40
JYI-42
0.257
0.146
0.278
ND
0.256
ND
XHE-II-024
0.09
0.18
0.32
14
0.24
11
SH-I-048A
0.774
0.1723
0.383
ND
0.11
ND
JYI-55
41.39
ND
0.504
ND
24.75
ND
JYI-47
2.759
2.282
0.511
ND
0.427
ND
DM-239
1.5
ND
0.53
ND
0.14
6.89
WY-B-15
0.92
0.83
0.58
2080
4.42
646
JYI-64 (C17H12N4FBr)
0.305
1.111
0.62
ND
0.87
5000
DM-II-90 (C17H12N4BrCl)
0.505
1
0.63
ND
0.37
5000
QH-146
0.49
ND
0.76
ND
7.7
10000
PZII-029
0.34
ND
0.79
ND
0.52
10
WYS19 C26H32N2O4Si
ND
ND
0.89
ND
ND
ND
XHE-III-06a
1
2
1
5
1.8
37
Ro15-1788
0.8
0.9
1.05
ND
0.6
148
MLT-I-70
1.1
1.2
1.1
ND
40.3
1000
XHE-III-04
1.2
2
1.1
219
0.4
500
FG8205
0.4
2.08
1.16
ND
1.54
227
PWZ-009A1
1.34
1.31
1.26
ND
0.84
2.03
alprazolam
0.8
0.59
1.43
ND
1.54
10000
XLI-348
13.56
11.17
1.578
ND
82.05
ND
QH-II-082
1.7
1.8
1.6
ND
6.1
100
WY-TSC-4 (WYS8)
0.007
0.99
1.63
ND
51.04
ND
SPH-121
0.14
1.19
1.72
ND
4
479
XLi-JY-DMH ANX3
3.3
0.58
1.9
ND
4.4
5000
MMB-III-016
3
1.97
2
1074
0.26
211
MMB-III-16
3
1.97
2
1074
0.26
211
XLI-8TC
21.52
11.01
2.155
ND
4.059
ND
6-PBC
0.49
1.21
2.2
ND
2.39
1343
YT-III-271
32.54
1.26
2.35
ND
103
ND
Ro15-4513
3.3
2.6
2.5
ND
0.26
3.8
TG-4-29
2.8
3.9
2.7
2.1
0.18
3.9
TG-II-82
1.6
2.9
2.8
ND
1
1000
OMB-18
3.9
1.2
3.4
1733
0.8
5
YT-II
6.932
0.8712
3.518
ND
5.119
ND
PS-1-34B C20H17N4BrO
ND
4.198
3.928
ND
ND
ND
DMCM
5.69
8.29
4
ND
1.04
134
MSR-I-032
6.2
18.7
4
ND
3.3
74.9
RY-008
3.75
7.2
4.14
ND
1.11
44.3
XHE-III-49
1.3
5.5
4.2
38.7
11.3
85.1
JYI-60 (C17H11N2OF)
3.73
1.635
4.3
ND
1.7
5000
FLUNITRAZEPAM
2.2
2.5
4.5
ND
2.1
2000
XLI-317
60.24
24.05
4.562
ND
0.295
ND
QH-II-080b
3
3.7
4.7
ND
24
1000
SPH-165
0.63
2.79
4.85
ND
10.4
1150
SH-I-04
7.3
6.136
5.1
ND
7.664
ND
SVO-8-30
1.1
5.3
5.3
2.8
0.6
15
WY-B-99-1
4.4
4.5
5.58
2000
47
2000
YT-III-25
2.531
5.786
5.691
ND
0.095
ND
BCCE
1.2
4.9
5.7
ND
26.8
2700
MMB-II-90
20
24
5.7
9
0.25
36
TC-YT-II-76
101.1
1.897
5.816
ND
11.99
ND
ZK 93423
4.1
4.2
6
ND
4.5
1000
RY-061
17
13
6.7
ND
0.3
31
JYI-54 (C24H15N3O3F4)
2.89
172
6.7
ND
57
1890
TG-4-29
8.3
10.2
6.9
ND
0.4
7.61
MMB-III-14
13
13
6.9
333
1.1
333
XHE-II-017
3.3
10
7
258
17
294
SHU-1-19
4
12
7
48
14
84
XHE-III-13
7.3
ND
7.1
880
1.6
311
DM-215
6.74
ND
7.42
ND
0.293
8.28
ABECARNIL
12.4
15.3
7.5
ND
6
1000
SVO-8-14
8
25
8
6.9
0.9
14
XHE-III-24
0.25
ND
8
222
10
328
SH-I-89S
12.78
8.562
8.145
ND
3.23
ND
PWZ-085
4.86
13
8.5
ND
0.55
40
XHE-I-093
2
7.1
8.9
1107
20
1162
ZG-168
11.2
10.7
9.2
ND
0.47
9.4
ZG69A
6.8
16.3
9.2
ND
0.85
54.6
ZG-69a (Ro15-1310)
6.8
16.3
9.2
ND
0.85
54.6
ZG-234
7.25
22.14
9.84
ND
0.3
5.25
XHE-II-073A (R ENRICHED)
5.9
11
10
15
1.18
140
RY-067
21
12
10
ND
0.37
42
XHE-III-14
2.6
ND
10
13
2
7
YT-III-272
295.9
14.98
10.77
ND
103.3
ND
SPH-38
2
5.4
10.8
ND
18.5
3000
ZG-208
9.7
11.2
10.9
ND
0.38
4.6
MLT-II-18
3.4
11.7
11
ND
225
10000
DM-II-33 (C20H13N3O2BrCl3)
88.6
85
11.6
ND
26.2
5000
JYI-59 (C22H13N3O2F4)
1.08
2.6
11.82
ND
11.5
5000
XHE-II-006b
3.7
15
12
1897
144
1000
XHE-II-073B (S-ENRICHED)
11
17
12
33
2.1
269
CM-B44 (ss)
32
43
12
379
4.3
485
WYSC1 C16H16N2O2
1.094
5.44
12.3
ND
69.8
21.2
JYI-48
75.59
90.68
12.78
ND
31.28
ND
XHE-II-002
8.3
18
13
3.9
1.5
11
RY-076
26
27
13
ND
0.7
22
WZ-113
19.2
13.2
13.4
ND
11.5
300
SH-I-085
11.08
4.866
13.75
ND
0.24
ND
CM-E10
23
26
14
215
0.51
96
TJH-IV-51
2.39
17.4
14.5
ND
316
10000
YT-III-38
1461
18.21
14.63
ND
3999
ND
CM-A87
1.62
4.54
14.73
1000
4.61
1000
diazepam
14
20
15
ND
11
ND
RY-053
49
29
15
ND
1
46
YCT-5
2.2
11.46
16.3
ND
200
10000
RY-098
10.1
22.2
16.5
ND
1.68
100
PWZ-096
11.1
36
16.9
ND
1.07
51.5
XLi223 C22H20BrN3O2
14
8.7
18
1000
10
2000
XHE-I-065
7.2
17
18
500
57
500
SH-I-02B
29.82
1315
18
ND
74.05
ND
MLT-II-16
5.05
10.41
18.4
ND
260
10000
RY-024 C19H19N3O3
26.9
26.3
18.7
ND
0.4
5.1
BCCt
0.72
15
18.9
ND
110.8
5000
LJD-III-15E
1.93
14
19
ND
70.8
1000
CM-E09b
20
22
19
55
0.45
69
RY-I-31
10
45
19
ND
6
1000
SH-I-030
14.42
11.04
19.09
ND
1.89
ND
YT-III-23
19.83
23.65
19.87
ND
1.105
ND
XHE-II-006a
4.7
4.4
20
1876
89
3531
OMB-19
22
4.6
20
3333
3.5
40
XHE-III-06b
32
33
20
299
28.6
740
Affinity of compounds at /BzR recombinant subtypes was measured by competition for [3H]flunitrazepam or [3H] Ro15-4513 binding to HEK cell membranes expressing human receptors of compositions 132, 232, 332, 432, 532, and 632 [22, 139]. Data represent the average of at least three determinations with a SEM of ±5%. ND: not determined.
